bluuebunny/crossref_metadata_2025 huggingface dataset:
Electronic structure, chemical bonding, and finite‐temperature magnetic properties of full Heusler alloys
Authors: Kurtulus Yasemin , Gilleßen Michael , Dronskowski Richard
Published: October 2005

The electronic structure, chemical bonding, and magnetic properties of 15 full Heusler alloys X2MnZ have been studied on the basis of density‐functional theory using the TB‐LMTO‐ASA approach and the local‐density (LDA), as well as the generalized‐gradient approximation (GGA). Correlations between the chemical bondings derived from crystal orbital Hamilton population (COHP) analysis and magnetic phenomena are obvious, and different mechanisms leading to spin polarization and ferromagnetism are derived. As long as a magnetically active metal atom X is present, antibonding XX and XMn interactions at the Fermi level drive the systems into the ferromagnetic ground state; only if X is nonmagnetic (such as in Cu2MnZ), antibonding MnMn interactions arise, which again lead to ferromagnetism. Finite‐temperature effects (Curie temperatures) are analyzed using a mean‐field description, and a surprisingly simple (or, trivial) relationship between structural properties (MnMn interatomic distances) and TC is found, being of semiquantitative use for the prediction of the latter. © 2005 Wiley Periodicals, Inc. J Comput Chem 27: 90–102, 2006
Relativistic Gaussian basis sets for molecular calculations: Fully optimized single‐family exponent basis sets for HHg
Authors: Watanabe Yoshihiro , Tatewaki Hiroshi , Koga Toshikatsu , Matsuoka Osamu
Published: October 2005

Relativistic single‐family exponent Gaussian basis sets for molecular calculations are presented for the 80 atoms 1H through 80Hg. The exponent parameters shared by Gaussian basis functions of all symmetry species are fully optimized. Two nucleus models of uniformly charged sphere and Gaussian charge distribution are considered and two kinds of basis sets are generated accordingly. The total energy errors are less than 2 mhartree in any atoms. Some of the present basis sets include small variational collapse (or prolapse), but test calculations show that they could be reliably applied to molecular calculations. © 2005 Wiley Periodicals, Inc. J Comput Chem 27: 48–52, 2006
Arterial input functions for dynamic susceptibility contrast MRI: Requirements and signal options
Authors: Conturo Thomas E. , Akbudak Erbil , Kotys Melanie S. , Chen Maison L. , Chun Steve J. , Hsu Raymond M. , Sweeney Caitlin C. , Markham Joanne
Published: October 2005

Cerebral perfusion imaging using dynamic susceptibility contrast (DSC) has been the subject of considerable research and shows promise for basic science and clinical use. In DSC, the MRI signals in brain tissue and feeding arteries are monitored dynamically in response to a bolus injection of paramagnetic agents, such as gadolinium (Gd) chelates. DSC has the potential to allow quantitative imaging of parameters such as cerebral blood flow (CBF) with a high signal‐to‐noise ratio (SNR) in a short scan time; however, quantitation depends critically on accurate and precise measurement of the arterial input function (AIF). We discuss many requirements and factors that make it difficult to measure the AIF. The AIF signal should be linear with respect to Gd concentration, convertible to the same concentration scale as the tissue signal, and independent of hematocrit. Complicated relationships between signal and concentration can violate these requirements. The additional requirements of a high SNR and high spatial/temporal resolution are technically challenging. AIF measurements can also be affected by signal saturation and aliasing, as well as dispersion/delay between the AIF sampling site and the tissue. We present new in vivo preliminary results for magnitude‐based (ΔR2*) and phase‐based (Δϕ) AIF measurements that show a linearity advantage of phase, and a disparity in the scaling of Δϕ AIFs, ΔR2* AIFs, and ΔR2* tissue curves. Finally, we discuss issues related to the choice of AIF signal for quantitative perfusion imaging. J. Magn. Reson. Imaging 2005. © 2005 Wiley‐Liss, Inc.
Direct Catalytic Hydrogenation of an Acrylonitrile‐Butadiene Rubber Latex Using Wilkinson's Catalyst
Authors: Wei Zhenli , Wu Jialong , Pan Qinmin , Rempel Garry L.
Published: October 2005

Summary: Hydrogenated acrylonitrile‐butadiene rubber is a high‐performance elastomer that has found important applications in the automobile industry and petroleum fields. A new catalytic process has been investigated for producing hydrogenated acrylonitrile‐butadiene rubber by direct hydrogenation of the rubber in latex form using RhCl(PPh3)3 as catalyst. The reactions were achieved without the addition of any organic solvents. This is the first time that the direct catalytic hydrogenation of an acrylonitrile‐butadiene rubber latex has been successfully realized in the absence of any organic solvent with a conversion of higher than 95% without cross‐linking of the polymer.

Effect of RhCl(PPh3)3/acrylonitrile‐butadiene rubber ratio on hydrogenation.

magnified image

Effect of RhCl(PPh3)3/acrylonitrile‐butadiene rubber ratio on hydrogenation.
Rhythmic tongue movements during sleep: A peculiar parasomnia in Costello syndrome
Authors: Della Marca Giacomo , Rubino Marco , Vollono Catello , Vasta Isabella , Scarano Emanuele , Mariotti Paolo , Cianfoni Alessandro , Mennuni Gioacchino Francesco , Tonali Pietro , Zampino Giuseppe
Published: October 2005

We describe a peculiar parasomnia observed in four Costello infants, characterized by periodic rhythmic movements of the tongue. Ten Costello patients (4 male; age range 9 months to 29 years) underwent 1 full‐night laboratory‐based video polysomnography. The four youngest patients (2 male and 2 female; age range 9–31 months) presented during sleep repeated stereotyped movements of the tongue, producing a sucking‐like or licking‐like movement, mostly during non‐rapid eye movement (NREM) sleep. Rhythmic tongue movements in Costello syndrome show the features of an NREM sleep parasomnia. Tongue movements during sleep probably originate from brainstem structures and could be facilitated by an impaired control of the oropharyngeal and tongue muscles. © 2005 Movement Disorder Society
APOE2 allele increased in tardive dyskinesia
Authors: Halford Jonathan , Mazeika Gandis , Slifer Susan , Speer Marcy , Saunders Ann M. , Strittmatter Warren J. , Morgenlander Joel C.
Published: October 2005

Ninety‐seven inpatients with tardive dyskinesia (average AIMS score = 13), the majority of whom were schizophrenic, were studied. Forty patients were Caucasian, and 57 were African–American. The APOE genotypes of these patients were compared to previously published genotypes of controls and with previously published studies of APOE genotypes in patients with schizophrenia. There were no significant differences in APOE allele frequencies comparing the African–American tardive dyskinesia population and the African–American control groups. In contrast, significant (< 0.05) P values were obtained comparing the Caucasian tardive dyskinesia population to the Caucasian controls, when comparing allele frequencies and genotypic frequencies. This study suggests that Caucasians bearing an APOE2 allele are at increased risk of developing tardive dyskinesia, whereas African–Americans are not. APOE genotype‐specific risks of both tardive dyskinesia and Alzheimer's disease that vary across populations could be due to recruitment of patients or controls or could be due to modifying effects of differing genetic or environmental backgrounds. The mechanism by which the APOE2 allele increases risk of tardive dyskinesia is not known. Further information about the mechanisms of increased risk of tardive dyskinesia could result in stratification of prescribing practices weighing the costs of medications against the relative risk of side effects. © 2005 Movement Disorder Society
Complete assignments of 1H and 13C NMR data for two 3β,8β‐epoxymexicanolides from the fruit of a Chinese mangrove Xylocarpus granatum
Authors: Wu Jun , Xiao Zhihui , Song Yang , Zhang Si , Xiao Qiang , Ma Cha , Ding Haixin , Li Qingxin
Published: October 2005

Three 3β,8β‐epoxymexicanolides, including xyloccensin K, 6‐acetoxycedrodorin and a new one named xyloccensin W, were isolated from the fruit of a Chinese mangrove Xylocarpus granatum. Their structures were determined by spectroscopic analyses. The first complete assignment of 1H and 13C NMR data for xyloccensin W was achieved by means of 2D NMR techniques, including 1H‐1H COSY, HSQC, HMBC and NOESY spectra. In addition, the confusion of 1H and 13C NMR data previously reported for xyloccensin K was clarified. Copyright © 2005 John Wiley & Sons, Ltd.
13C NMR spectral assignment of 1,4‐diarylpiperazinones
Authors: Abreu Arturo , Ochoa Ma. Eugenia , Farfán Norberto , Santillan Rosa
Published: October 2005

The piperazinone derivatives have potential application in the pharmaceutical, polymer and textile fields. The present work describes the preparation of a series of new 1,4‐diarylsubstituted‐2‐piperazinones by condensation of substituted N,N′‐bis‐(2‐hydroxyphenyl)‐ethylenediamines with glyoxal and the complete 13C NMR spectral assignment accomplished using APT, HMQC and HMBC techniques. Substituent chemical‐shift effects (SCS) were calculated, which showed different values for the lactam‐ and amine‐substituted aromatic rings. The results show that predictions based on SCS effects are not simple for these molecules due to electronic and steric effects. Moreover, in the case of the ortho‐substituted derivative 2 g, the NMR spectra reveal a dynamic behavior related to restricted rotation of the phenyl groups (atropisomerism). Copyright © 2005 John Wiley & Sons, Ltd.
Stem cell protein Piwil2 modulates expression of murine spermatogonial stem cell expressed genes
Authors: Lee Jae Ho , Engel Wolfgang , Nayernia Karim
Published: October 2005

The piwi family genes are highly conserved during evolution and play essential roles in stem cell self‐renewal, gametogenesis, and RNA interference in diverse organisms ranging from Arabidopsis to human. Piwil2, known also as Mili gene, is one of three mouse homologues of piwi. Piwil2 was found in germ cells of adult testis, suggesting that this gene functions in spermatogonial stem cell self‐renewal. In order to find molecular mechanisms underlying stem cell activity mediated by Piwil2 gene, an in vitro gain of function cell culture model was established. Messenger RNAs isolated from cells expressing Piwil2 and mRNAs isolated from cells without Piwil2 expression were compared using a stem cell array technique. It was shown that Piwil2 modulates expression of stem cell specific genes, including platelet‐derived growth factor receptor, beta polypeptide (Pdgfrb), solute carrier family 2 member 1 (Slc2a1), gap junction membrane channel protein alpha 7 (Gja7), and spermatogonial cell surface markers Thy‐1 (CD90), integrin alpha 6 (Itga6), CD9, and spermatogonia specific markers heat shock protein 90 alpha (Hsp90a), and stimulated by retinoic acid gene 8 (Stra8). These molecules play essential role in stem cells proliferation (Pdgfrb), energy metabolism (Slc2a1), cell adhesion, cell–cell interaction (Itga6, Gja7, Thy‐1, and CD9), and germ cell differentiation (Stra8). The expression of these markers in spermatogonial stem cells and other nongerminal stem cells suggests that these cells share elements of common molecular machinery with stem cells in other tissues which are modulated by stem cell protein Piwil2. Mol. Reprod. Dev. © 2005 Wiley‐Liss, Inc.
Radial basis functions and level set method for structural topology optimization
Authors: Wang Shengyin , Wang Michael Yu
Published: October 2005

Level set methods have become an attractive design tool in shape and topology optimization for obtaining lighter and more efficient structures. In this paper, the popular radial basis functions (RBFs) in scattered data fitting and function approximation are incorporated into the conventional level set methods to construct a more efficient approach for structural topology optimization. RBF implicit modelling with multiquadric (MQ) splines is developed to define the implicit level set function with a high level of accuracy and smoothness. A RBF–level set optimization method is proposed to transform the Hamilton–Jacobi partial differential equation (PDE) into a system of ordinary differential equations (ODEs) over the entire design domain by using a collocation formulation of the method of lines. With the mathematical convenience, the original time dependent initial value problem is changed to an interpolation problem for the initial values of the generalized expansion coefficients. A physically meaningful and efficient extension velocity method is presented to avoid possible problems without reinitialization in the level set methods. The proposed method is implemented in the framework of minimum compliance design that has been extensively studied in topology optimization and its efficiency and accuracy over the conventional level set methods are highlighted. Numerical examples show the success of the present RBF–level set method in the accuracy, convergence speed and insensitivity to initial designs in topology optimization of two‐dimensional (2D) structures. It is suggested that the introduction of the radial basis functions to the level set methods can be promising in structural topology optimization. Copyright © 2005 John Wiley & Sons, Ltd.
Predisposition to atypical teratoid/rhabdoid tumor due to an inherited INI1 mutation
Authors: Janson Kristin , Nedzi Lucien A. , David Odile , Schorin Marshall , Walsh John W. , Bhattacharjee Meena , Pridjian Gabriella , Tan Lu , Judkins Alexander R. , Biegel Jaclyn A.
Published: October 2005

Background

Germline mutations of the INI1 gene predispose children to the development of rhabdoid tumors. Reports of familial cases, however, are extremely rare.

Procedure

We have identified a three‐generation family in which two half‐brothers were diagnosed with central nervous system atypical teratoid/rhabdoid tumors (AT/RT). The two boys, diagnosed at 2 months and 17 months of age, had a germline insertion mutation in exon 4 of the INI1 gene that was inherited from their healthy mother. A maternal uncle died in childhood from a brain tumor and a malignant rhabdoid tumor of the kidney, and presumably carried the same germline mutation. As the mother and uncle had different fathers, the grandmother is also an obligate carrier of the mutation.

Conclusion

The identification of two unaffected carriers in a family segregating a germline mutation and rhabdoid tumor supports the hypothesis that there may be variable risks of development of rhabdoid tumor in the context of a germline mutation. There may be a developmental window in which most rhabdoid tumors occur. This family highlights the importance of mutation analysis in all patients with a suspected rhabdoid tumor. Pediatr Blood Cancer 2006;47:279–284. © 2005 Wiley‐Liss, Inc.
Use of infliximab‐daclizumab combination for the treatment of acute and chronic graft‐versus‐host disease of the liver and gut
Authors: Rodriguez Vilmarie , Anderson Peter M. , Trotz Barbara A. , Arndt Carola A.S. , Allen Julia A. , Khan Shakila P.
Published: October 2005

Infliximab‐daclizumab was used to treat acute and chronic liver and gut graft‐versus‐host disease (GVHD) in two children after standard immunosuppressive therapy failed. Infliximab (10 mg/kg weekly, 4 doses) and daclizumab (1 mg/kg, days 1, 4, 8, 15, and 22) were given over 1 month. In case 1, grade 2 chronic GVHD of the liver developed 1 year after transplantation and failed to improve with tacrolimus, mycophenolate mofetil, and prednisone. In case 2, corticosteroid‐unresponsive grade 3 acute liver and gut GVHD developed on day +37. In both patients, GVHD responded to the infliximab‐daclizumab regimen without toxicity and immunosuppressive therapy was discontinued. Pediatr Blood Cancer 2007;49:212–215. © 2005 Wiley‐Liss, Inc.
Ovarian repositioning in pediatric cancer patients: Flexible techniques accommodate pelvic radiation fields
Authors: Cowles Robert A. , Gewanter Richard M. , Kandel Jessica J.
Published: October 2005

Treatments for childhood cancer and consequent long‐term survival rates continue to improve. As the success of these therapies advances, premature ovarian failure and sterility have become an increasingly evident long‐term morbidity. Abdominal and pelvic radiation have been specifically shown to induce early menopause and decreased fertility. In order to minimize radiation injury, we utilized novel techniques to reposition ovaries in two girls with pelvic tumors prior to initiation of pelvic radiation. One girl with a sacral Ewing sarcoma underwent laparoscopic anterior suspension of the ovaries, using a simple and easily reversible technique. The second patient, who underwent hysterectomy for a recurrent uterine rhabdomyosarcoma, underwent widely lateral and cephalad repositioning of the ovaries. Both procedures were well tolerated, with no significant morbidity. In both cases the ovaries were moved well beyond the planned radiation field. We propose that open or laparoscopic ovarian repositioning in children is a simple, flexible, and reversible option to reduce radiation injury to the ovaries in pediatric cancer patients. Pediatr Blood Cancer 2007;49:339–341. © 2003 Wiley‐Liss, Inc.
Scattering properties of core–shell particles in plastic matrices
Authors: Small Alex , Hong Sheng , Pine David
Published: October 2005

Blending submicron rubber particles with plastics can enhance the mechanical strength of the composite material. However, the difference in refractive index between the particle and matrix scatters light, making the material more opaque. We consider the possibility of reducing a particle's scattering cross section by adding coatings. We find that adding coatings can reduce the amount of scattering by changing the effective dielectric contrast between the particle and the matrix. We also found that, when the refractive index of the particle is very close to that of the matrix the order of the layers can have significant effects on the transmitted light. Such effects may be useful for engineering the optical properties of particle‐doped plastics. Resonant effects akin to those found in antireflection coatings on planar surfaces are difficult to obtain and rarely provide a significant reduction in scattering. We discuss theoretical models that can qualitatively explain some of our results. © 2005 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 43: 3534–3548, 2005
Deswelling comparison of temperature‐sensitive poly(N‐isopropylacrylamide) microgels containing functional OH groups with different hydrophilic long side chains
Authors: Ma Xiaomei , Xi Jingyu , Zhao Xian , Tang Xiaozhen
Published: October 2005

Two monomers containing functional OH groups with different hydrophilic long side chains (viz., triethyleneglycol methacrylate (TREGMA) and polyethyleneglycol methacrylate (PEGMA)) were selected to modify the swelling/deswelling behavior of poly(N‐isopropylacrylamide) (pNIPAM) microgels. Dynamic scattering technique, turbidimetric method, and differential scanning calorimetry (DSC) were employed to investigate the deswelling behavior of the microgels. Experimental results show that the two series of microgels are identical in that incorporation of hydrophilic chains containing OH groups causes the volume‐phase transition temperature (VPTT) of pNIPAM microgels to shift to higher temperature; the more hydrophilic the side chains, the more the VPTTs shift. Although PEGMA are more effective in elevating the VPTTs of pNIPAM microgels than TREGMA, p(NIPAM‐co‐TREGMA) microgels show better deswelling properties than p(NIPAM‐co‐PEGMA) microgels, i.e., they have much larger deswelling ratios (α) and display less continuous volume‐phase transition. The VPTTs of the modified microgels can be modulated to well close to the normal body temperature of human beings. These characteristics along with the functional OH groups they contain make the microgels competitive candidates for biomaterials. © 2005 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 43: 3575–3583, 2005
Electrical conductivity of some cationic polysaccharides. I. Effects of polyelectrolyte concentration, charge density, substituent at the ionic group, and solvent polarity
Authors: Ghimici Luminita , Nichifor Marieta
Published: October 2005

Electrolytic conductivity behavior of some cationic polysaccharides in water, methanol, and the mixtures water/methanol is presented. The polyelectrolytes investigated contain quaternary ammonium salt groups, N‐alkyl‐N,N‐dimethyl‐2‐hydroxypropyleneammonium chloride, attached to a dextran backbone. This study considers the influences of polymer concentration (1 × 10−6 < C < 1 × 10−2 monomol L−1) and the charge density (ξ = 0.48–3.17) modified either by changing charge distance (b) or dielectric constant of the solvent (ε) on polyion–counterion interaction in salt‐free solutions. Above the critical value, ξc = 1, the variation of the equivalent conductivity (Λ) as a function of concentration is typical for a polyelectrolyte behavior. The conductometric data in water were analyzed in terms of the Manning's counterion condensation theory. The presence of longer alkyl chains at quaternary N atoms was found to have a negligible influence on the Λ values. The results show that the decrease of the medium polarity results in the decrease of the number of free ions and, consequently, of the equivalent conductivity values. © 2005 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 43: 3584–3590, 2005
Acceptability of pesticide impacts on the environment: what do United Kingdom stakeholders and the public value?
Authors: Crane Mark , Norton Andrew , Leaman John , Chalak Ali , Bailey Alistair , Yoxon Mark , Smith Jim , Fenlon John
Published: October 2005

EU Directive 91/414/EEC requires there to be no unacceptable effects on the environment from the use of pesticides. This paper reports the views of direct stakeholder groups and results from an opinion survey of more than 2000 members of the general public on what in practice should constitute acceptable and unacceptable effects of pesticides. Stakeholders in focus groups were concerned with the potential effects of pesticides on animal and plant population viability and micro‐organism function but recognized that a trade‐off exists between the potential economic advantages of responsible pesticide use and the potential disadvantages of individual poisoning events. The public opinion survey showed that although pesticides are widely used in homes and gardens, their use on farm crops remains of concern to the public. Concerns are greatest on issues of human health and food quality but potential environmental effects are also an issue for a substantial number of people, particularly if attractive species could be affected. Copyright © 2005 Society of Chemical Industry
Quantitative Structure‐retention Relationship for Gas Chromatography of Polychlorinated Naphthalenes by Ab initio Quantummechanical Calculations and a Cl Substitution Position Method
Authors: Zhai Zhi‐Cai , Wang Zun‐Yao , Chen Shu‐Da
Published: October 2005

Three quantitative structure‐retention relationship (QSRR) models have been developed for gas chromatographic relative retention indices (RIs) of polychlorinated naphthalene (PCN) congeners. With computation at HF/6‐31G* and B3LYP/6‐31G* levels in Gaussian98 program, the structural parameters of PCNs were obtained and used as chemical descriptors to correlate with their gas chromatographic RIs by multiple linear regression analysis, resulting in model 1 and model 2. The squared correlation coefficients (r2) of the first two models are 0.9814 and 0.9957, and the cross‐validation correlation coefficients (q2) are 0.9771 and 0.9948, respectively. On the other hand, the third model, model 3, was developed using the relative position of chlorine substitution as molecular descriptor, and its multiple squared correlation coefficient is r2 = 0.9967 and q2 = 0.9959, suggesting model 3 is practical and especially has a optimum predictive power.
Charge‐induced modulation of magnetic interactions in a [2 × 2] metal‐organic grid complex
Authors: Romeike C. , Wegewijs M. R. , Wenzel W. , Ruben M. , Schoeller H.
Published: October 2005

We investigate the magnetic state of a recently synthesized [2 × 2]‐metal‐organic grid complex as a function of its redox state. Our analysis of a phenomenological model for the relevant molecular orbitals reveals that additional electrons on the ligands can couple their spins via the bridging metal sites. We find that at certain stages of the reduction of the complex cation, a maximal total spin ground state of the complex (S = 3/2) can be stabilized by the Nagaoka mechanism. © 2005 Wiley Periodicals, Inc. Int J Quantum Chem, 2006
Semiempirical hyperspherical model for 4HeN clusters
Authors: Lohr Lawrence L. , Blinder S. M.
Published: October 2005

A semiempirical hyperspherical model for the ground states of low‐temperature helium clusters is proposed. Extension of the authors' delta function model for the helium dimer suggests an effective hyper‐radial Schrödinger equation with two empirical parameters. The parameters are fitted so as to reproduce the ground‐state energies and RMS interatomic distances in Blume and Greene's quantum Monte Carlo computations for 4HeN clusters with N = 3–10. The model can be extrapolated to N → ∞ to give a reasonable value for the binding energy per atom in a helium droplet. © 2005 Wiley Periodicals, Inc. Int J Quantum Chem, 2006
Mass spectrometric analysis of the interactions between CP12, a chloroplast protein, and metal ions: a possible regulatory role within a PRK/GAPDH/CP12 complex
Authors: Delobel Arnaud , Graciet Emmanuelle , Andreescu Simona , Gontero Brigitte , Halgand Frédéric , Laprévote Olivier
Published: October 2005

The small chloroplast protein CP12 plays the role of a protein linker in the assembly process of a PRK/GAPDH/CP12 complex that is involved in CO2 assimilation in photosynthetic organisms. The redox state of CP12 regulates its role as a protein linker. Only the oxidized protein, with two disulfide bonds, is active in complex formation. Several observations indicating that CP12 might bind a metal ion led us to screen the binding of different metal ions on oxidized or reduced CP12 using non‐covalent electrospray ionization mass spectrometry (ESI‐MS) experiments. The oxidized protein bound specifically Cu2+ and Ni2+ (Kd of 26 ± 1 µM and 11 ± 1 µM, respectively); other cations such as Fe2+and Zn2+did not bind, while cations such as Cd2+ formed non‐specific adducts to CP12. Similar results were obtained for metal ions on screening with the reduced CP12. Interestingly, the present results suggest that Cu2+ catalyzes the re‐formation of the disulfide bonds of the reduced CP12, leading to recovery of the fully oxidized CP12 that is then able to bind a Cu2+ ion. Finally the high similarity between CP12 and copper chaperones from Arabidopsis thaliana, as judged by hydrophobic cluster analysis, provides additional evidence for the relevance of metal binding for the in vivo situation. The findings that CP12 is able to bind a metal ion, and that Cu2+ catalyzes the oxidation of the thiol groups of CP12, are new characteristics of this protein that may prove to be important in the regulation of the assembly process of the PRK/GAPDH/CP12 complex. Copyright © 2005 John Wiley & Sons, Ltd.
Concentration inequalities for functions of independent variables
Authors: Maurer Andreas
Published: October 2005

Following the entropy method this paper presents general concentration inequalities, which can be applied to combinatorial optimization and empirical processes. The inequalities give improved concentration results for optimal traveling salesmen tours, Steiner trees, and the eigenvalues of random symmetric matrices. © 2005 Wiley Periodicals, Inc. Random Struct. Alg., 2006
Simulation of electron‐excited X‐ray spectra with NIST–NIH Desktop Spectrum Analyzer (DTSA)
Authors: Newbury Dale E. , Myklebust Robert L.
Published: October 2005

Desktop Spectrum Analyzer (DTSA) is a comprehensive software platform for the collection, simulation, processing, qualitative, and quantitative analysis of electron‐excited X‐ray spectra. Spectrum simulation is based upon solving the rigorous expression for inner shell ionization, integrated from the incident beam energy to the critical excitation energy, taking into account energy loss of the primary electrons and the loss of ionization power due to electron backscattering. The user can choose from a wide range of cross sections for K‐, L‐ and M‐shell ionization, as well as for the X‐ray continuum. Both energy‐dispersive and wavelength‐dispersive spectrometers can be simulated. The simulated spectrum can be inspected at each stage of its generation, propagation through the specimen, propagation through the detector windows and structure, and after application of the detector‐broadening function. The final spectrum is calculated on an absolute dose and spectrometer efficiency basis, permitting comparison to experimentally measured spectra. Correspondence for K‐shell intensity within ±20% relative to experimental values can be achieved over a wide range of photon energy. Appropriate counting statistics can be applied to the simulated spectra, enabling the user to test the accuracy of peak fitting with multiple linear least squares or sequential simplex nonlinear procedures. Published in 2005 by John Wiley & Sons, Ltd.
Scanning electron microscope dimensional metrology using a model‐based library
Authors: Villarrubia J. S. , Vladár A. E. , Postek M. T.
Published: October 2005

The semiconductor electronics industry places significant demands upon secondary electron imaging to obtain dimensional measurements that are used for process control or failure analysis. Tolerances for measurement uncertainty and repeatability are smaller than the spatial resolution of edges in the scanning electron microscope (SEM) that is used to perform the measurements. Image processing techniques, historically used to identify edge locations, are inadequate under these conditions. An alternative approach, based upon Monte Carlo electron transport modeling to assign edge positions, has been developed. The specimen shape is parameterized, and parameters are iteratively adjusted to produce the best least squares fit to the measured image. Because Monte Carlo simulators are too slow to be used directly in such an iterative calculation, the Monte Carlo technique is used relatively few times to construct a library of results for parameters spanning the process space of interest. A function that interpolates the library then becomes a surrogate that is used to rapidly compute the model function as needed. This procedure has yielded measurement results from top‐down SEM images that are in good agreement with cross‐section measurements and that have as much as a factor of 3 better same‐site repeatability than the more traditional techniques. Published in 2005 by John Wiley & Sons, Ltd.
Total ionization cross sections of Cl and Cl2 by electron impact
Authors: Ali M. Asgar , Kim Yong‐Ki
Published: October 2005

Cross sections of Cl and Cl2 for ionization by electron impact are calculated using the Binary‐Encounter‐Bethe (BEB) theoretical model. The BEB model requires only the binding energies and kinetic energies of atomic or molecular orbitals (MO). For the lowest binding energies, experimental vertical ionization potentials (IPs) are used to make the theoretical ionization threshold coincide with the experimental threshold. Experimental cross sections, and cross sections calculated using alternative theoretical models, where available, are compared with the BEB results. The BEB cross sections agree well with the experimental data for Cl and Cl2. Copyright © 2005 John Wiley & Sons, Ltd.
NIST databases with electron elastic‐scattering cross sections, inelastic mean free paths, and effective attenuation lengths
Authors: Powell C. J. , Jablonski A. , Salvat F.
Published: October 2005

A brief description is given of three databases issued by the US National Institute of Standards and Technology (NIST). These databases, designed principally for applications in Auger‐electron spectroscopy (AES) and X‐ray photoelectron spectroscopy (XPS), provide electron elastic‐scattering cross sections, electron inelastic mean free paths, and electron effective attenuation lengths. Examples are given of their use. Copyright © 2005 John Wiley & Sons, Ltd.
Application of Monte Carlo simulation to SEM image contrast of complex structures
Authors: Ding Z. J. , Li H. M.
Published: October 2005

A new Monte Carlo technique for the simulation of scanning electron microscopy (SEM) images for an inhomogeneous specimen with a complex geometric structure has been developed. The simulation is based on constructive solid geometry (CSG) modelling, i.e. constructive solid geometry modelling with simple geometric structures, as well as a ray‐tracing technique for correction of electron step‐length sampling when an electron trajectory crosses the interface of the inhomogeneous structures. This correction is important for the simulation of nano‐scale structures whose size is comparable with or even less than the electron‐scattering mean free paths. Copyright © 2005 John Wiley & Sons, Ltd.
A Monte Carlo model utilizing local chemical potentials for simulating segregation and diffusion. Part 2–implementation
Authors: Joubert H. D. , Swart H. C. , Terblans J. J.
Published: October 2005

The Monte Carlo model described in Part 1 was implemented in a software package. Comparisons were made between the new model and the existing, modified Darken model. The first comparison focused on converting the jumps per atom to time. This was accomplished by fitting the Fick model on the kinetic part of the segregation profile. From the fit, a scaling parameter was found with which the Monte Carlo steps were converted to time. The scaled Monte Carlo segregation profile was compared to the modified Darken model, and a good correlation between the profiles was found. The influence of various segregation energies was also studied by computing segregation profiles for different segregation energies. The equilibrium concentrations obtained from the different segregation profiles follow the values predicted by the Langmuir–McLean equation. A parallel calculation scheme was successfully implemented that led to a decrease in the effective calculation time. The surface concentrations of the parallel computations were added together and an average segregation profile was obtained. This resulted in a reduction of the statistical noise on the segregation profile. Copyright © 2005 John Wiley & Sons, Ltd.
Thermal and Rheological Properties of Dough and Bread as Affected by Various Cross‐linked Cornstarch Substitutions
Authors: Van Hung Pham , Morita Naofumi
Published: October 2005

Various kinds of cross‐linked cornstarches (CLCSs) were used to substitute for wheat flour (5 and 10%), and thermal and rheological properties of dough and bread were examined. The pastes of the substituted flours had lower gelatinization temperatures and higher viscosities than those of the control. The substitution with low‐swelling waxy CLCS (L‐CWCS) had higher paste consistency and lower transition enthalpy than those with high‐ or low‐swelling non‐waxy CLCS (H‐CNCS or L‐CNCS) or the control. The substitutions with L‐CNCS made harder doughs and higher firmness of breadcrumbs during storage than the others. The specific volumes of breads with cross‐linked cornstarch substitutions were slightly smaller than that of the control because of the lack of gluten. The firmness of bread substituted with L‐CWCS was softer than that with H‐ or L‐CNCS. In addition, the breads with H‐CNCS were softer than that with L‐CNCS. The results showed that the compression stress of dough was highly positively correlated with firmness of breads after storage for one and three days (r = 0.876, P < 0.01 and r = 0.809, P < 0.05, respectively). Also, significant positive correlations were detected between the transition enthalpy of dough and firmness of breads after storage for one and three days (r = 0.840, P < 0.05 and r = 0.853, P < 0.05, respectively), whereas no correlation between transition enthalpies of breadcrumbs and firmness of breads was observed.
Variation in the Chain‐length Distribution Profiles of Endosperm Starch from Triticum and Aegilops Species
Authors: Yasui Takeshi , Sasaki Tomoko , Matsuki Junko
Published: October 2005

The baseline variation data on the chain‐length distribution profiles of endosperm starch were acquired for use as a criterion for variation among bread wheat (Triticum aestivum L.) cultivars/lines. A total of 126 starch samples isolated from closely related species belonging to the Triticum‐Aegilops group, i.e., five Triticum and 22 Aegilops species, were examined. Their side‐chains were debranched by isoamylase and chain‐length distribution profiles were determined by high‐performance anion exchange chromatography with pulsed amperometric detection (HPAEC‐PAD). An averaged chain‐length distribution profile calculated from all data indicated that the most abundant side‐chain had a degree of polymerization (DP) of 11 and its proportion based on relative peak area was 7.5%. The side‐chains were classified into four groups, and the average proportions of each group were as follows; DP 6–12, 28.5% (range 26.3–30.9%); DP 13–24, 48.6% (46.2–50.8%); DP 25–36, 13.7% (12.8–15.2%) and DP ≥37, 8.9% (7.2–10.6%). The chain‐length distribution profiles of Triticum and Aegilops species were essentially similar and no peculiar profile was observed. The range of the variation in the proportion of side‐chain groups, however, was comparable to the difference between waxy and non‐waxy bread wheat starches and among starches from wheat grown at different temperatures; this would affect the gelatinization and retrogradation properties of starch.
On the possibility of doxastic venture: a reply to Buckareff
Authors: BISHOP JOHN
Published: October 2005

In response to Buckareff, I agree that it is indeed impossible intentionally and directly to acquire a belief one judges not to be supported by one's evidence. But Jamesian doxastic venture does not involve any such direct self-inducing of belief: it is rather a matter of an agent's taking to be true in practical reasoning what she already, through some ‘passional’, non-epistemic, cause, holds true beyond the support of her evidence. To deny that beliefs may sometimes have passional causes is, I argue, purely a rationalist dogma. I do concede to Buckareff, however, that a venture of faith might sometimes be sub-doxastic, in the sense that full practical commitment is made to faith-propositions without actual belief. That concession requires only a minor modification, however, to a doxastic-venture model of faith.
Loving attention: a realist, projectivist theory of value
Authors: NELSON MARK T.
Published: October 2005

I try out a tentative hypothesis in speculative philosophy, by sketching a theory of value modelled on John Locke's theory of acquisition. I argue that this theory has all the advantages of Locke's theory of acquisition, but few of its disadvantages. Moreover, it allows us to reconcile two attractive, but apparently incompatible, ideas about value: the real-value idea (that animals, plants, artifacts, and landscapes really are valuable) and the subject-dependence idea (that things have value only in relation to experiencing subjects). As a theory of value, it may be interesting in its own right, but I also argue that it may be of particular interest to theists.
Response to Hasker
Authors: ROWE WILLIAM L.
Published: October 2005

The issue between my view and Hasker's concerns a certain principle that he takes to be true, but I hold to be false. The principle in question asserts that failing to do better than one did is a defect only if doing the best one can is possible for one to do. I claim that this principle is false because if an all-knowing, all-powerful being were confronted with an unending series of increasingly better creatable worlds and deliberately chose to create the least good world, that being would thereby show itself to be something less than a supremely perfect world-creator. In fact, I argue that if a supremely perfect world-creator were to exist and create a world, it would have to be a world than which there is no better creatable world.
Speech-act theory and biblical interpretation
Authors: Childs Brevard S.
Published: October 2005

This essay seeks to explore speech-act theory in its relation to biblical interpretation. Its initial focus falls on the application of N. Wolterstorff whose book Divine Discourse provided the decisive catalyst for the recent debates. Building on the different kinds of action involved when speaking (locutionary, illocutionary and perlocutionary) Wolterstorff draws two important hermeneutical implications. First, the theory affords a way of understanding the unity of scripture in its entirety as God's book; second, it enables the reader to acknowledge the infallibility of God's Word as divine discourse without ascribing infallibility to the human words of scripture.

The second part attempts to offer a critical assessment of Wolterstorff's application of his theory, especially in its failure to deal adequately with the function of the Christian canon which shaped the church's traditions in such a way as to provide a rule-of-faith for the theological guidance of subsequent generations of readers. By abandoning the hermeneutical understanding of scripture developed by Irenaeus and Calvin, Wolterstorff flounders in his inability to overcome the threat of scripture's becoming a ‘wax nose’ in which the noematic content of what God now says in divine discourse is not identical with the meaning of the biblical sentence itself.

The final section examines the exegesis of the well-known scholar A. Thiselton, whose work has done much in developing a speech-act theory. The conclusion reached is that Thiselton's application of the theory is far different from that of Wolterstorff's and avoids many of the problems which plague Wolterstorff's exegesis. The implication of this analysis is to argue that speech-act theory cannot be indiscriminately lumped together, because various forms of the theory often reflect different hermeneutical theories of biblical interpretation.
Being made human: the significance of creation for Irenaeus' doctrine of participation
Authors: Canlis Julie
Published: October 2005

This article examines the strong Creator–creature divide that Irenaeus held against gnostic monism as an essential building block for his doctrine of participation in God. By deepening the distinction between God and humanity, Irenaeus could then relate the two non-competitively, even allowing the creature ‘promotion into God’. By building participation into his definition of what it means to be creaturely, Irenaeus develops a dynamic anthropology of growth and grace in which the creature participates in Christ to fulfil its true humanity.
The Theatre before Its Double: Artaud Directs in the Alfred Jarry Theatre
Authors: Jannarone Kimberly
Published: October 2005

It is ironic that the works of Antonin Artaud, who called for the rejuvenation of theatre as such, come to us today not on their own, but through an unusually dense filter: a peculiarly persistent critical/theoretical apparatus doubles his own writings and practice. Artaud's work has occupied a cultish space in both French and English criticism for several decades. Each major trend in Artaud scholarship has reinforced the image of Artaud as a brilliant/mad theoretician and inspirational writer but a failed theatre practitioner—worse, one doomed to failure. The French school of criticism has plumbed the depths of the paradoxes of Artaud's oeuvre, examining the impossibility of reconciling the inadequacy of expression with the need to express. Derrida has argued that Artaud's projects, by their nature, by his nature, cannot succeed: They betray him the moment they begin to be articulated; they cannot stand upright the minute they leave his body. Much French criticism takes Artaud's madness and uses it as a touchstone for discussion of his legacy. The French Artaud begins at the asylum in Rodez.
Urban Views: Digital Access to the Joseph Urban Collection at Columbia University
Authors: Friedland Nancy E.
Published: October 2005

Brander Matthews (1852–1929), author, critic and a professor of English and Dramatic Literature at Columbia University, believed strongly that, to best study theatre, researchers and scholars needed to see and access the makings of the stagecraft itself. Based on personal experience, Matthews realized that the observation of sets, props, costumes, models, sketches, and other ephemera would enable a better understanding and visualization of actual productions. As a result, he set out collecting such objects, as well as puppets, masks, posters, and playbills. In 1911, the Brander Matthews Dramatic Museum collection was officially established at Columbia University.
Kazuo Ohno's World from Without and Within. By Kazuo Ohno and Yoshito Ohno. Translated by John Barrett. Middletown, CT: Wesleyan University Press, 2004; pp. 344. $34.95 paper.
Authors: Wurmli Kurt
Published: October 2005

Kazuo Ohno and Tatsumi Hijikata are recognized as the most influential creators of the contemporary Japanese dance form known today as butoh. Since its wild and avant-garde beginnings in the late 1950s, butoh has evolved into an established and appreciated art form throughout the world. Despite its popularity and strong influences on the international modern dance world, butoh only recently became an accepted subject for academic research in Japan as well as in the West. With the new opening of butoh research centers and archives—such as the Ohno Dance Studio Archives at BANK ART 1929 in Yokohama, the Kazuo Ohno Archives at Bologna University in Italy, and the Hijikata Tatsumi Archives at Keio University in Tokyo—serious scholarly attention has been given to the art of butoh's founders. However, the lack of firsthand sources by butoh artists reflecting their own work still poses great limitations for a deep understanding of the art form. Kazuo Ohno's World from Without and Within is not only the first full-length book in English about the master's life and work, but also offers a rare inside view of butoh.
Kenneth Tynan: A Life. By Dominic Shellard. New Haven, CT: Yale University Press, 2003; pp. 399. $35.00 cloth.
Authors: Coppa Francesca
Published: October 2005

Pity the scholar asked to review a biography of Kenneth Tynan; one finds oneself frantically searching one's pockets for aphorisms, witticisms, or—at the very least—a shocking obscenity or two. After all, Tynan was the critic who so memorably dismissed a popular musical as “a world of woozy song”; met the question, “Who are the new English playwrights?” with the sarcastic rejoinder, “Who were the old ones?”; and who cried out for new playwrights to invade the British theatre because he would “rather be a war correspondent than a necrologist.” Then, of course, there is the famous first use of the word “fuck” on television and the staging of Oh, Calcutta! and the magnificent New Yorker profiles, not to mention the nearly singlehanded reshaping of British drama through the powerful combination of exhortation and satire. All in all, it is a lot for a reviewer to live up to, and while I have neither Tynan's wit nor ability to provoke, I do find myself able to produce one single Tynanesque observation about Dominick Shellard's Kenneth Tynan: A Life. This is that the book has been shockingly missubtitled.