bluuebunny/crossref_metadata_2025_split huggingface dataset:
A comparative study of endothelial cell markers expressed in chronically inflamed human tissues: MECA‐79, Duffy antigen receptor for chemokines, von Willebrand factor, CD31, CD34, CD105 and CD146
Authors: Middleton Jim , Americh Laure , Gayon Regis , Julien Denis , Mansat Michel , Mansat Pierre , Anract Philippe , Cantagrel Alain , Cattan Pierre , Reimund Jean‐Marie , Aguilar Luc , Amalric Francois , Girard Jean‐Philippe 
Published: May 2005

AbstractEndothelial cells play a central role in chronic inflammation: for example, they express adhesion molecules and present chemokines leading to enhanced leukocyte recruitment into tissues. Numerous markers of endothelial cells have been reported but there has been a lack of comparative data on their specificity. The present study compared the specificity of seven endothelial cell markers in the rheumatoid synovium and the colon of patients with Crohn's disease. These markers were: the sulphated epitope MECA‐79, the Duffy antigen receptor for chemokines (DARC), von Willebrand factor, CD31 (PECAM‐1), CD34, CD105 (endoglin) and CD146. MECA‐79, DARC and von Willebrand factor showed a specific endothelial cell distribution. MECA‐79, which recognizes sulphated ligands for leukocyte adhesion receptor L‐selectin (CD62L), was selective for a subset of venules in highly inflamed tissue and was present in rheumatoid but not control osteoarthritic synovia. DARC was also specific for venules but had a more widespread distribution than MECA‐79, and was present in rheumatoid and control synovia. The other markers all labelled endothelial cells in venules, arterioles and capillaries. However, they also localized to other cell types. For example, CD34 stained fibroblasts, CD146 was expressed by the pericytes and smooth muscle cells of vessel walls and CD31 and CD105 labelled a broad range of cell types. Copyright © 2005 Pathological Society of Great Britain and Ireland. Published by John Wiley & Sons, Ltd.
Prevalence of risk factors for suicide in patients prescribed venlafaxine, fluoxetine, and citalopram
Authors: Mines Daniel , Hill Deanna , Yu Holly , Novelli Laura 
Published: May 2005

AbstractPurposeThree recent observational studies reported that the risk of fatal overdose is greater with venlafaxine than SSRI use. It is not clear whether patient factors could account for this finding. We evaluated whether risk factors for suicide are more prevalent among patients prescribed venlafaxine than patients prescribed fluoxetine or citalopram.MethodsUsing data from the UK General Practice Research Database (GPRD), we identified patients who were first prescribed any of the three drugs between January 1995 and April 2002. We ascertained risk factors for suicide documented in the 1 year before that first prescription. Separate analyses compared venlafaxine (N = 27 096) and fluoxetine (N = 134 996) cohorts, and venlafaxine and citalopram (N = 52 035) cohorts.ResultsPrevious suicidal behaviors were documented for 1.0% of the venlafaxine cohort compared to 0.4% of the fluoxetine cohort (OR 2.8, 95%CI: 2.4, 3.2) and 0.4% citalopram cohorts (OR 2.4, 95%CI: 2.0, 2.9). 72.5% of venlafaxine patients had been prescribed at least one other antidepressant compared to 27.6% of fluoxetine (OR 6.9, 95%CI: 6.7, 7.1) and 39.5% of citalopram (OR 4.0, 95%CI: 3.9, 4.2) patients. Venlafaxine patients were also four to six times as likely to have been previously hospitalized for depression.ConclusionIn the UK, venlafaxine has been selectively prescribed to a patient population with a higher burden of suicide risk factors than patients prescribed fluoxetine and citalopram. Unless baseline population differences are accounted for, observational studies that compare the risk of suicide in patients receiving these agents may produce biased results. Copyright © 2005 John Wiley & Sons, Ltd.
Highly conductive new aniline copolymers: poly(aniline‐co‐aminoacetophenone)s
Authors: Savitha P , Swapna Rao P , Sathyanarayana DN 
Published: May 2005

AbstractCopolymers of aniline and o‐/m‐aminoacetophenone of different compositions were synthesized by oxidative chemical copolymerization. Two different methods were employed, emulsion and inverse emulsion, with different oxidants, ammonium persulphate and benzoyl peroxide, to study the effect of synthesis conditions on the yield, solubility and conductivity of the copolymers. The copolymer compositions were determined using proton NMR spectroscopy. The reactivity ratios determined by the Finemann–Ross method indicate lower reactivity for m‐aminoacetophenone relative to aniline in the emulsion method, while the reverse holds true in the inverse emulsion method. Copolymers formed by the former pathway are random type as determined by the Finemann–Ross method. The copolymers have crystalline/amorphous morphologies and good conductivity. They exhibit enhanced solubility compared with polyaniline. Copyright © 2005 Society of Chemical Industry
Mass spectrometry‐based analytical tools for the molecular protein characterization of human plasma lipoproteins
Authors: Heller Manfred , Stalder Daniel , Schlappritzi Evelyn , Hayn Gertraud , Matter Urs , Haeberli André 
Published: May 2005

AbstractLipoproteins are a heterogeneous population of blood plasma particles composed of apolipoproteins and lipids. Lipoproteins transport exogenous and endogenous triglycerides and cholesterol from sites of absorption and formation to sites of storage and usage. Three major classes of lipoproteins are distinguished according to their density: high‐density (HDL), low‐density (LDL) and very low‐density lipoproteins (VLDL). While HDLs contain mainly apolipoproteins of lower molecular weight, the two other classes contain apolipoprotein B and apolipoprotein (a) together with triglycerides and cholesterol. HDL concentrations were found to be inversely related to coronary heart disease and LDL/VLDL concentrations directly related. Although many studies have been published in this area, few have concentrated on the exact protein composition of lipoprotein particles. Lipoproteins were separated by density gradient ultracentrifugation into different subclasses. Native gel electrophoresis revealed different gel migration behaviour of the particles, with less dense particles having higher apparent hydrodynamic radii than denser particles. Apolipoprotein composition profiles were measured by matrix‐assisted laser desorption/ionization‐mass spectrometry on a macromizer™ instrument, equipped with the recently introduced cryodetector technology, and revealed differences in apolipoprotein composition between HDL subclasses. By combining these profiles with protein identifications from native and denaturing polyacrylamide gels by liquid chromatography‐tandem mass spectrometry, we characterized comprehensively the exact protein composition of different lipoprotein particles. We concluded that the differential display of protein weight information acquired by macromizer™ mass spectrometry is an excellent tool for revealing structural variations of different lipoprotein particles, and hence the foundation is laid for the screening of cardiovascular disease risk factors associated with lipoproteins.
Selective retention of some polyaromatic hydrocarbons by highly crosslinked polymer networks
Authors: Hosoya Ken , Aoki Hiroshi , Kubo Takuya , Teramachi Masashi , Tanaka Nobuo , Haginaka Jun 
Published: May 2005

AbstractHighly crosslinked polymer networks were characterized in terms of structural differences based on the crosslinked network structures with their chromatographic molecular retentivity for some polyaromatic hydrocarbons (PAHs). Because PAHs and some sterically bulky solutes were used in the chromatographic characterization, tiny differences in the crosslinked polymer networks were observed in terms of the chromatographic molecular retentivity. Ethylene dimethacrylate afforded molecular retentivity for anthracene, and this recognition ability changed with the polymerization time. In addition, 1,4‐butanediol dimethacrylate afforded molecular retentivity for pyrene, and this retentivity was larger than that for anthracene. The polymerization methods also affected the resulting polymer networks drastically. © 2005 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 43: 2556–2566, 2005
Long‐term stability of an ambient self‐curable latex based on colloidal dispersions in water of two reactive polymers
Authors: Chen Xiaonong , Pelton Robert , Ruckenstein Eli 
Published: May 2005

AbstractAn ambient self‐curable latex (ASCL) was prepared via the blending of colloidal dispersions in water of a chloromethylstyrene‐functionalized copolymer and a tertiary‐amine‐functionalized copolymer. Upon casting and drying under ambient conditions, the ASCL could generate crosslinked continuous polymer films. The crosslinking occurred via the Menschutkin reaction (quaternization) between the two types of functional groups. Because this reaction was reversible at high temperatures, the films could be decrosslinked and hence were self‐curable. The prepared ASCL exhibited excellent colloidal and chemical stability during long‐term storage: no significant changes in the colloidal properties, such as the particle size, electrophoretic mobility, and crosslinking reactivity, were observed after 48 months of storage. The electrophoretic measurements indicated that the electrostatic repulsion between the negatively charged particles of the ASCL was responsible for the excellent stability. © 2005 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 43: 2598–2605, 2005
Synthesis and modeling of new phosphorus‐containing acrylates
Authors: Salman Seyhan , Albayrak Aylin Ziylan , Avci Duygu , Aviyente Viktorya 
Published: May 2005

AbstractNew methacrylate monomers containing phosphonic acid or both phosphonic and carboxylic acids were synthesized through the reaction of t‐butyl α‐bromomethyl acrylate with triethyl phosphite followed by the selective hydrolysis of the phosphonate or t‐butyl ester groups with trimethylsilyl bromide and trifluoroacetic acid. The copolymerization of these monomers with 2‐hydroxyethylmethacrylate was investigated with photodifferential scanning calorimetry at 40 °C with 2,2′‐dimethoxy‐2‐phenyl acetophenone as a photoinitiator. Quantum mechanical tools were also used to understand the mechanistic behavior of the polymerization reactions of these synthesized monomers. The propagation and chain‐transfer reactions were considered and rationalized. A strong effect of the monomer structure on the rate of polymerization was observed. The polymerization reactivities of the monomers increased with decreasing steric hindrance and/or increasing hydrogen‐bonding capacity because of the hydrolysis of the phosphonate and the t‐butyl ester groups. © 2005 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 43: 2574–2583, 2005
Sequence analysis of poly (ether sulfone) copolymers by 13C NMR
Authors: Zhou Xiao‐Ming , Jiang Zhen‐Hua 
Published: May 2005

AbstractRandom and block copolymers of poly (ether sulfone) (PES) and poly (ether ether sulfone) (PEES) were synthesized by the nucleophilic polycondensation of 4,4′‐dichlorodiphenyl sulfone (DCDPS) with 4,4′‐dihydroxydiphenyl sulfone (DHDPS) and hydroquinone (HQ). Chemical structures of these copolymers were characterized by 13C NMR. The monomer molar fraction, sequential distribution, and degree of randomness of the copolymers were determined through analyses of the resonances of quaternary carbons in the DCDPS unit. Experimental results show that the molar fractions of the comonomer determined by 13C NMR analyses are close to the charged values in the synthetic step. Moreover, these copolymers, which were prepared by different polymerization methods, revealed different number‐average sequential length and degree of randomness. © 2005 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 43: 1624–1630, 2005
New method for protein secondary structure assignment based on a simple topological descriptor
Authors: Taylor Todd , Rivera Margarita , Wilson Glenda , Vaisman Iosif I. 
Published: May 2005

AbstractA simple, five‐element descriptor, derived from the Delaunay tessellation of a protein structure in a single point per residue representation, can be assigned to each residue in the protein. The descriptor characterizes main‐chain topology and connectivity in the neighborhood of the residue and does not explicitly depend on putative hydrogen bonds or any geometric parameter, including bond length, angles, and areas. Rules based on this descriptor can be used for accurate, robust, and computationally efficient secondary structure assignment that correlates well with the existing methods. Proteins 2005. © 2005 Wiley‐Liss, Inc.
Standardized ignition test procedure for evaluating antistatic flexible intermediate bulk containers (FIBC)
Authors: Britton Laurence G. , Holdstock Paul , Pappas Robert J. 
Published: May 2005

AbstractIn 1999 the International Electrotechnical Commission (IEC) began development of a standard for the electrostatic classification of flexible intermediate bulk containers (FIBC). Part of this effort addressed gas ignition testing for FIBC used in flammable atmospheres, drawing on test procedures used by various test laboratories. Critical examination of IEC's 2003 working draft raised a number of technical issues requiring experimental resolution. This article describes research and development leading to publication of IEC 61340‐4‐4:2005. It is shown that some FIBC previously regarded as “Type D” fail the new IEC standard test because factors such as charging current and test gas ignition energy were formerly not standardized at appropriate values. © 2005 American Institute of Chemical Engineers Process Saf Prog, 2005
Studies on some singular potentials in quantum mechanics
Authors: Roy Amlan K. 
Published: May 2005

AbstractA simple methodology is suggested for the efficient calculation of certain central potentials having singularities. The generalized pseudospectral method used in this work facilitates nonuniform and optimal spatial discretization. Applications have been made to calculate the energies, densities, and expectation values for two singular potentials of physical interest, viz., (i) the harmonic potential plus inverse quartic and sextic perturbation and (ii) the Coulomb potential with a linear and quadratic term for a broad range of parameters. The first 10 states belonging to a maximum of 𝓁 = 8 and 5 for (i) and (ii) have been computed with good accuracy and compared with the most accurate available literature data. The calculated results are in excellent agreement, especially in light of the difficulties encountered in these potentials. Some new states are reported here for the first time. This offers a general and efficient scheme for calculating these and other similar potentials of physical and mathematical interest in quantum mechanics accurately. © 2005 Wiley Periodicals, Inc. Int J Quantum Chem, 2005
Algebraic modifications to second quantization for non‐Hermitian complex scaled hamiltonians with application to a quadratically convergent multiconfigurational self‐consistent field method
Authors: Yeager Danny L. , Mishra Manoj K. 
Published: May 2005

AbstractThe algebraic structure for creation and annihilation operators defined on orthogonal orbitals is generalized to permit easy development of bound‐state techniques involving the use of non‐Hermitian Hamiltonians arising from the use of complex‐scaling or complex‐absorbing potentials in the treatment of electron scattering resonances. These extensions are made possible by an orthogonal transformation of complex biorthogonal orbitals and states as opposed to the customary unitary transformation of real orthogonal orbitals and states and preserve all other formal and numerical simplicities of existing bound‐state methods. The ease of application is demonstrated by deriving the modified equations for implementation of a quadratically convergent multiconfigurational self‐consistent field (MCSCF) method for complex‐scaled Hamiltonians but the generalizations are equally applicable for the extension of other techniques such as single and multireference coupled cluster (CC) and many‐body perturbation theory (MBPT) methods for their use in the treatment of resonances. This extends the domain of applicability of MCSCF, CC, MBPT, and methods based on MCSCF states to an accurate treatment of resonances while still using L2 real basis sets. Modification of all other bound‐state methods and codes should be similarly straightforward. © 2005 Wiley Periodicals, Inc. Int J Quantum Chem, 2005
Chiral tetrahedrons as unitary quaternions: Molecules and particles under the same standard?
Authors: Capozziello S. , Lattanzi A. 
Published: May 2005

AbstractChiral tetrahedral molecules can be dealt with under the standard of quaternionic algebra. Specifically, noncommutativity of quaternions is a feature directly related to the chirality of molecules. We show that a quaternionic representation naturally arises out from empirical Fischer projections, and the action of the related algebra on the quantum states of molecules is studied. Analogies with fundamental particle physics are discussed. © 2005 Wiley Periodicals, Inc. Int J Quantum Chem, 2005
NBO‐based CI/MP through‐space/bond interaction analysis and its application to stereoelectronic effects in SN2 reactions
Authors: Orimoto Yuuichi , Naka Kazunari , Aoki Yuriko 
Published: May 2005

AbstractNBO‐based CI/MP through‐space/bond interaction analysis was developed to analyze specific orbital interactions under consideration of the effects of electron correlation. This treatment was applied to the analysis of stereoelectronic effects in SN2 reactions of allyl bromide in which the effects of electron correlation play an important role (ammonia was used as the nucleophilic reagent). The SN2 activation energy in allyl bromide is lower than that in propyl bromide, because both the σ–π* and π–σ* interactions in allyl bromide contribute equally to the stabilization of the transition state. © 2005 Wiley Periodicals, Inc. Int J Quantum Chem, 2005
Fuzzy fragment selection strategies, basis set dependence and HF–DFT comparisons in the applications of the ADMA method of macromolecular quantum chemistry
Authors: Szekeres Zsolt , Exner Thomas , Mezey Paul G. 
Published: May 2005

AbstractThe Adjustable Density Matrix Assembler (ADMA) method is examined in this paper. This method approximates (first order) density matrices by taking only those interactions into account which are present between fragments separated by a preset distance parameter (d). The accuracy of this approximation is tested using different basis sets, distance parameters and exchange‐correlation functionals. As an illustration of the applications of the method, the electron density of the hemoglobin molecule is presented in its oxy, deoxy and carbon‐monoxy form. © 2005 Wiley Periodicals, Inc. Int J Quantum Chem, 2005
R‐matrix quantum defects of molecular hydrogen
Authors: Telmini M. , Bezzaouia S. , Jungen Ch. 
Published: May 2005

AbstractThe “Halfium” model, which combines the variational R‐matrix method with the methods of generalized quantum defect theory in prolate spheroidal coordinates, is illustrated for the 1Πu symmetry of molecular hydrogen. It is shown how the smooth behavior of the quantum defect matrices thus calculated permits the use of interpolation techniques that yield molecular potential energy curves, resonance positions and widths at minimal computational effort. © 2005 Wiley Periodicals, Inc. Int J Quantum Chem, 2005
DFT with effective potential expressed as a mapping of the external potential: Applications to closed‐shell molecules
Authors: Theophilou Andreas K. , Glushkov Vitaly 
Published: May 2005

AbstractIn density functional theory (DFT), the Kohn–Sham (KS) potential VKS is expressed in terms of the ground‐state density. As a consequence, VKS does not always have the symmetry of the external potential V. The symmetry requirements are used to derive a noninteracting potential, VeK, as a direct mapping of the external potential V. This mapping gives the following VeK for molecules and solids:

where Zi are the nuclear charges at positions Ri. An explicit form of the kernel K is given. Applications are made to small molecules (H2, LiH, BH, and H2O) in order to test its accuracy. The energies calculated were found to deviate very little from those of Hartree–Fock, as the relative deviation of the two energies, ΔE/E, was found to be of the order of 10−4. This accuracy is much higher than that of standard DFT in its local exchange potential approximation. This method is appropriate for large molecules, as it is much faster than HF and standard DFT, because the potential is known from the start. © 2005 Wiley Periodicals, Inc. Int J Quantum Chem, 2005
Biometry of the pubovisceral muscle and levator hiatus by three‐dimensional pelvic floor ultrasound
Authors: Dietz H. P. , Shek C. , Clarke B. 
Published: May 2005

AbstractObjectiveUntil recently, magnetic resonance was the only imaging method capable of assessing the levator ani in vivo. Three‐dimensional (3D) ultrasound has recently been shown to be able to demonstrate the pubovisceral muscle. The aim of this study was to define the anatomy of the levator hiatus in young nulliparous women with the help of 3D ultrasound.MethodsIn a prospective observational study, 52 nulligravid female Caucasian volunteers (aged 18–24 years) were assessed by two‐dimensional (2D) and 3D translabial ultrasound after voiding whilst supine. Pelvic organ descent was assessed on Valsalva maneuver. Volumes were acquired at rest and on Valsalva maneuver, and biometric indices of the pubovisceral muscle and levator hiatus were determined in the axial and coronal planes.ResultsIn the axial plane, average diameters of the pubovisceral muscle were 0.4–1.1 cm (mean 0.73 cm). Average area measurements were 7.59 (range, 3.96–11.9) cm2. The levator hiatus at rest varied from 3.26 to 5.84 (mean 4.5) cm in the sagittal direction, and from 2.76 to 4.8 (mean 3.75) cm in the coronal plane. The hiatus area at rest ranged from 6.34 to 18.06 (mean 11.25) cm2 increasing to 14.05 (6.67–35.01) cm2 on Valsalva maneuver (P = 0.009). There were significant correlations between pelvic organ mobility and hiatus area at rest (P = 0.018 to P < 0.001) and on Valsalva maneuver (all P < 0.001).ConclusionsBiometric indices of the pubovisceral muscle and levator hiatus can be determined by 3D ultrasound. Significant correlations exist between hiatal area and pelvic organ descent. These data provide support for the hypothesis that levator ani anatomy plays an independent role in determining pelvic organ support. Copyright © 2005 ISUOG. Published by John Wiley & Sons, Ltd.