bluuebunny/crossref_metadata_2025 huggingface dataset:
Docetaxel and hyperthermia: Factors that modify thermal enhancement
Authors: Mohamed Faheez , Stuart O. Anthony , Glehen Olivier , Urano Muneyasu , Sugarbaker Paul H.
Published: September 2004

Background

Hyperthermia enhances the cytotoxicity of some chemotherapeutic agents and recent studies suggest that docetaxel may show improved response at elevated temperatures. Factors that may modify the thermal enhancement of docetaxel were studied to optimize its clinical use with hyperthermia.

Methods

The tumor studied was an early‐generation isotransplant of a spontaneous C3Hf/Sed mouse fibrosarcoma, Fsa‐II. All studies were approved by the Animal Care and Use Committee. Docetaxel was given as a single intraperitoneal injection. Hyperthermia was achieved by immersing the tumor‐bearing foot into a constant temperature water bath. Four factors were studied: duration of hyperthermia, sequencing of hyperthermia with docetaxel, intensity of hyperthermia, and tumor size. To study duration of hyperthermia tumors were treated at 41.5°C for 30 or 90 min immediately after intraperitoneal administration of docetaxel. For sequencing of hyperthermia and docetaxel, animals received hyperthermia treatment of tumors for 30 min at 41.5°C immediately after drug administration, hyperthermia both immediately and 3 hr after docetaxel administration and hyperthermia given only at 3 hr after administration of docetaxel. Intensity of hyperthermia was studied using heat treatment of tumors for 30 min at 41.5 or 43.5°C immediately following docetaxel administration. Effect of tumor size was studied by delaying experiments until three times the tumor volume (113 mm3) was observed. Treatment of tumors lasted for 30 min at 41.5°C immediately following drug administration. Tumor response was studied using the mean tumor growth time.

Results

Hyperthermia in the absence of docetaxel had a small but significant effect on tumor growth time at 43.5°C but not at 41.5°C. Hyperthermia at 41.5°C for 90 min immediately after docetaxel administration significantly increased mean tumor growth time (P = 0.0435) when compared to tumors treated with docetaxel at room temperature. Treatment for 30 min had no effect. Application of hyperthermia immediately and immediately plus 3 hr following docetaxel was effective in delaying tumor growth. Treatment at 3 hr only had no effect. No significant difference in mean tumor growth time was observed with docetaxel and one half hour of hyperthermia at 41.5 or 43.5°C. For larger tumors, hyperthermia alone caused a significant delay in tumor growth time. Docetaxel at 41.5°C for 30 min did not significantly increase mean tumor growth time compared to large tumors treated with docetaxel at room temperature.

Conclusions

Docetaxel shows a moderate increase in anti‐tumor activity with hyperthermia. At 41.5°C the thermal enhancement of docetaxel is time dependent if hyperthermia is applied immediately following drug administration. With large tumors docetaxel alone or docetaxel plus hyperthemia showed the greatest delays in tumor growth time in the experiments. J. Surg. Oncol. 2004;88:14–20. © 2004 Wiley‐Liss, Inc.
Salvage surgical resection after high‐dose ifosfamide (HDIF) based regimens in advanced soft tissue sarcoma (ASTS): A potential positive selection bias—A study of the Spanish Group for Research on Sarcomas (GEIS)
Authors: Maurel Joan , Buesa José , López‐Pousa Antonio , del Muro Xavier García , Quintana María Jesús , Martín Javier , Casado Antonio , Martínez‐Trufero Javier , de las Peñas Ramón , Balañá Carmen
Published: September 2004

Purpose

To assess the impact of different factors on response rate (RR), time to tumor progression (TTP), and overall survival time (OS) in patients with locally advanced or metastatic soft tissue sarcoma (ASTS), included in three protocols with high‐dose ifosfamide (HDIF).

Patients and Methods

One hundred fifty six ASTS patients included in three consecutive phase II trials with HDIF (>10 g/m2), alone or in combination with doxorubicin (DX), were analyzed. Cofactors were institution, trial, gender, age, performance status, histologic type, grade of malignancy, prior radiotherapy, presence of locoregional disease, metastatic site, salvage surgery, number of organs involved, and disease‐free interval.

Results

By multivariate analysis performance status >0 and lack of salvage surgery correlated with a poorer survival. A good‐risk and a poor‐risk group were identified, with median survival time (OS) of 29, 5, and 10 months, respectively (P = 0.00001). The 1‐, 2‐, and 3‐year OS for 83 good‐risk patients (either with PS = 0 or receiving salvage surgery) was 83, 44, and 29%, respectively, those figures being 37, 7, and 3% for 73 poor‐risk patients.

Conclusion

The design of randomized trials in ASTS including HDIF should consider those prognostic factors as stratification variables. J. Surg. Oncol. 2004;88:44–49. © 2004 Wiley‐Liss, Inc.
Preoperative intraperitoneal chemotherapy for patients with serosa‐infiltrating gastric cancer
Authors: Yano Masahiko , Yasuda Takushi , Fujiwara Yoshiyuki , Takiguchi Shuji , Miyata Hiroshi , Monden Morito
Published: September 2004

Background and Objectives

Serosa‐infiltrating gastric cancer poses a high risk for peritoneal recurrence. This study examined the feasibility and efficacy of preoperative intraperitoneal (i.p.) chemotherapy for such cancer.

Methods

Patients with serosa‐infiltrating tumors, diagnosed by conventional examinations as well as by staging laparoscopy, were enrolled in this study. Those with unresectable T4 tumors, visible peritoneal metastasis or distant organ metastasis were excluded. Twenty‐five eligible patients received preoperative i.p. chemotherapy, which consisted of i.p. injection of 20 mg of mitomycin C on day 1 and 10 mg of cisplatin for 5 days, followed by surgery.

Results

Of the 25 patients, 24 underwent gastrectomy with lymph node dissection and 1 underwent palliative gastrojejunostomy. The curability of the surgery was curability A in 6, B in 16, and C in 3. Preoperative T stages (T3 in 21 and T4 in 4) were downstaged postoperatively (T1 in 1, T2 in 10, T3 in 11, and T4 in 3). The 1‐ and 2‐year overall survival was 83.3 and 51.3%, respectively. The median survival time was 24.4 months. The toxicity of the preoperative treatment was tolerable and no serious postoperative complication was seen.

Conclusions

Preoperative i.p. chemotherapy seems to be a safe and effective therapy for serosa‐infiltrating gastric cancer. Randomized clinical trials comparing preoperative i.p. chemotherapy followed by surgery and surgery alone are needed. J. Surg. Oncol. 2004;88:39–43. © 2004 Wiley‐Liss, Inc.
Investigating laser-induced fluorescence of metabolic
changes in Guinea pig livers during Nd:YAG laser irradiation
Authors: Minet O , Beuthan J
Published: September 2004

Recently, dosimetry of thermal influences on biological
tissue has been attracting more and more interest among
scientists. For temperatures exceeding 56°C, the
irreversible tissue coagulation can be approximately described by
the Arrhenius theory, which was established in chemical kinetics.
Investigations in the temperature range between 43°C and
55°C are rare and are, therefore, not available in a
systematic form. A Nd:YAG laser (1060 nm) was used, to heat up
liver tissue of guinea pigs in this temperature range periodically
at intervals of ca. 3 minutes. A second laser (N2, 337 nm) was
used to simultaneously excite the autofluorescence of NADH as
coenzyme of the cell respiration. The results of the measurement
series show strong inter-individual variations of the metabolic
decay time. The Arrhenius theory fails to provide a description in
this temperature range thus opening up new modeling possibilities.
Multi wavelength rational harmonic mode locked source for polarization
division multiplexing based on a reflective semiconductor optical
amplifier and Bragg grating written in a high birefringent fiber
Authors: André P S , Nogueira R N , Teixeira A L J , Lima M J N , da Rocha J F , Pinto J L
Published: September 2004

We have realized a source for 50 GHz polarization
interleaving division multiplexing using a Bragg grating engraved
in high birefringent fiber and in a reflective semiconductor
optical amplifier. The source operates in rational harmonic mode
locking regime in order to obtain short optical pulses. The
spectral and temporal characteristics of the source have been
investigated and reported.
Maxwell equation with quantum corrections for vacuum
in strong laser field
Authors: Andreev A A , Labzovsky G L , Pismak Yu M , Markov V N
Published: September 2004

Modern lasers are yet unable to cause
electron-positron pair production in vacuum, however it is
possible to notice considerable influence of vacuum polarization
on radiation that propagates in such medium. The field strength of
modern lasers is not strong enough for creation of
electron-positron pair in a vacuum, but the powerful laser beams
generates polarization of vacuum which can be established
experimentally. In the framework of QED a nonlocal theory of
interaction of intensive laser radiation with electron-positron
vacuum is developed. Refusing from the Heisenberg-Euler
approximation it appears to be possible to calculate non-zero
response of vacuum even for a plane wave. It is described by
corrections to the Maxwell equations obtained by means of the
proper time method. Effects generated by this correction for
propagation of wave are analyzed.
Physical implementation of entangling quantum measurements
Authors: Grishanin B A , Zadkov V N
Published: September 2004

We clarify the microscopic structure of the entangling
quantum measurement superoperators and examine their possible
physical realization in a simple three-qubit model, which
implements the entangling quantum measurement with an arbitrary
degree of entanglement.
Mapping soil erosion risk in Rondônia, Brazilian Amazonia: using RUSLE, remote sensing and GIS
Authors: Lu D. , Li G. , Valladares G. S. , Batistella M.
Published: September 2004

This article discusses research in which the authors applied the Revised Universal Soil Loss Equation (RUSLE), remote sensing, and geographical information system (GIS) to the maping of soil erosion risk in Brazilian Amazonia. Soil map and soil survey data were used to develop the soil erodibility factor (K), and a digital elevation model image was used to generate the topographic factor (LS). The cover‐management factor (C) was developed based on vegetation, shade, and soil fraction images derived from spectral mixture analysis of a Landsat Enhanced Thematic Mapper Plus image. Assuming the same climatic conditions and no support practice in the study area, the rainfall–runoff erosivity (R) and the support practice (P) factors were not used. The majority of the study area has K values of less than 0·2, LS values of less than 2·5, and C values of less than 0·25. A soil erosion risk map with five classes (very low, low, medium, medium‐high, and high) was produced based on the simplified RUSLE within the GIS environment, and was linked to land use and land cover (LULC) image to explore relationships between soil erosion risk and LULC distribution. The results indicate that most successional and mature forests are in very low and low erosion risk areas, while agroforestry and pasture are usually associated with medium to high risk areas. This research implies that remote sensing and GIS provide promising tools for evaluating and mapping soil erosion risk in Amazonia. Copyright © 2004 John Wiley & Sons, Ltd.
When is a patient too well and when is a patient too sick for a liver transplant?
Authors: Merion Robert M.
Published: September 2004

Key Points
Selection of pediatric candidates under the PELD system
Authors: McDiarmid Sue V. , Merion Robert M. , Dykstra Dawn M. , Harper Ann M.
Published: September 2004

Key Points
Fear‐pattern analysis supports the fear‐drive model for antispeeding road‐safety TV ads
Authors: Rossiter John R. , Thornton Jennifer
Published: September 2004

Previous studies of fear appeals in advertising have relied on a procedure that measures only the overall level of fear produced by the ad. That procedure cannot validly test the effect of drive reduction, which is the central causal mechanism in Hovland, Janis, and Kelley's (1953) original fear‐drive model. To overcome this limitation, the present research identifies the fear pattern of the ad, based on moment‐to‐moment ratings of fear‐to‐relief taken for its duration. In Study 1, which examines ratings of seven antispeeding TV commercials, it is shown that a postexposure overall rating of fear is in fact measuring the maximum level of fear experienced, not the average level, and that this static rating of fear cannot distinguish very different patterns, such as the pattern of rising fear with no relief, the “shock” pattern of sudden fear with no relief (both representing positive punishment), and the classic fear‐relief pattern (the drivereduction pattern). In Study 2, which is a laboratory experiment using antispeeding road‐safety TV commercials and a dependent variable of speed choice on a realistic simulated driving test, it is demonstrated that the fear‐relief pattern reduces young drivers' speed choice not only initially but after heavy repetition of the ad, whereas fear without relief increases speed choice initially, then, after heavy repetition, it decreases speed choice, although not down to the driving speed produced by fear‐relief. The reason why a shock ad starts to work following heavy repetition is that viewers begin to anticipate the shock and the ad becomes, in effect, a fear‐relief ad. The overall results strongly support the fear‐drive model. © 2004 Wiley Periodicals, Inc.
Fear appeals in social marketing: Strategic and ethical reasons for concern
Authors: Hastings Gerard , Stead Martine , Webb John
Published: September 2004

This article criticizes the predominant use of fear appeals in social marketing. Laboratory studies, which have been the basis for most of the research on fear appeals and which generally suggest that high fear works, have limitations that include forced exposure, short‐term measurement, and an overdependence on student samples. Although, unfortunately, field research evaluations of fear appeals are few, they usually reveal that fear has both weaker effects and unintended deleterious effects in real‐world social marketing campaigns. Ethical concerns about fear appeals include maladaptive responses such as chronic heightened anxiety among those most at risk and, paradoxically, complacency among those not directly targeted, and increased social inequity between those who respond to fear campaigns, who tend to be better off, and those who do not, who tend to be the less educated and poorer members of society. Alternatives to fear appeals are the use of positive reinforcement appeals aimed at the good behavior, the use of humor, and, for younger audiences, the use of postmodern irony. © 2004 Wiley Periodicals, Inc.
An upscaling method and a numerical analysis of swelling/shrinking processes in a compacted bentonite/sand mixture
Authors: Xie M. , Agus S. S. , Schanz T. , Kolditz O.
Published: September 2004

This paper presents an upscaling concept of swelling/shrinking processes of a compacted bentonite/sand mixture, which also applies to swelling of porous media in general. A constitutive approach for highly compacted bentonite/sand mixture is developed accordingly. The concept is based on the diffuse double layer theory and connects microstructural properties of the bentonite as well as chemical properties of the pore fluid with swelling potential. Main factors influencing the swelling potential of bentonite, i.e. variation of water content, dry density, chemical composition of pore fluid, as well as the microstructures and the amount of swelling minerals are taken into account. According to the proposed model, porosity is divided into interparticle and interlayer porosity. Swelling is the potential of interlayer porosity increase, which reveals itself as volume change in the case of free expansion, or turns to be swelling pressure in the case of constrained swelling. The constitutive equations for swelling/shrinking are implemented in the software GeoSys/RockFlow as a new chemo‐hydro‐mechanical model, which is able to simulate isothermal multiphase flow in bentonite. Details of the mathematical and numerical multiphase flow formulations, as well as the code implementation are described. The proposed model is verified using experimental data of tests on a highly compacted bentonite/sand mixture. Comparison of the 1D modelling results with the experimental data evidences the capability of the proposed model to satisfactorily predict free swelling of the material under investigation. Copyright © 2004 John Wiley & Sons, Ltd.
Generalized strain probing of constitutive models
Authors: Hashash Youssef M. A. , Fu Qingwei , Butkovich Jeremy
Published: September 2004

Advanced material constitutive models are used to describe complex soil behaviour. These models are often used in the solution of boundary value problems under general loading conditions. Users and developers of constitutive models need to methodically investigate the represented soil response under a wide range of loading conditions. This paper presents a systematic procedure for probing constitutive models. A general incremental strain probe, 6D hyperspherical strain probe (HSP), is introduced to examine rate‐independent model response under all possible strain loading conditions. Two special cases of HSP, the true triaxial strain probe (TTSP) and the plane‐strain strain probe (PSSP), are used to generate 3‐D objects that represent model stress response to probing. The TTSP, PSSP and general HSP procedures are demonstrated using elasto‐plastic models. The objects resulting from the probing procedure readily highlight important model characteristics including anisotropy, yielding, hardening, softening and failure. The PSSP procedure is applied to a Neural Network (NN) based constitutive model. It shows that this probing is especially useful in understanding NN constitutive models, which do not contain explicit functions for yield surface, hardening, or anisotropy. Copyright © 2004 John Wiley & Sons, Ltd.
Current Awareness in NMR in Biomedicine
Authors:   John Wiley & Sons, Ltd.
Published: September 2004

In order to keep subscribers up‐to‐date with the latest developments in their field, John Wiley & Sons are providing a current awareness service in each issue of the journal. The bibliography contains newly published material in the field of NMR in biomedicine. Each bibliography is divided into 9 sections: 1 Books, Reviews ' Symposia; 2 General; 3 Technology; 4 Brain and Nerves; 5 Neuropathology; 6 Cancer; 7 Cardiac, Vascular and Respiratory Systems; 8 Liver, Kidney and Other Organs; 9 Muscle and Orthopaedic. Within each section, articles are listed in alphabetical order with respect to author. If, in the preceding period, no publications are located relevant to any one of these headings, that section will be omitted.
Quantification of water diffusion and relaxation times of human U87 tumors in a mouse model
Authors: Sun Yanping , Mulkern Robert V. , Schmidt Karl , Doshi Sameer , Albert Mitchell S. , Schmidt Nils O. , Ziu Mateo , Black Peter , Carrol Rona , Kieran Mark W.
Published: September 2004

Assessing the potential of anti‐cancer agents can be greatly facilitated by applying MRI methods to investigations with animal models. Quantitative diffusion imaging, T1, and T2 measurements may offer valuable information for understanding properties of the tumor and for evaluating new therapeutic approaches. The human U87 high‐grade glial tumor is widely used for cancer investigations in orthotopic murine models. The physiological features of this model at the cellular and sub‐cellular level have not, however, been well characterized by MRI. In this study, we measured the diffusion, T1 and T2 characteristics of water in the human U87 tumor at 8.5 T in an orthotopic murine model in vivo and analyzed their detailed changes in the transition from the tumor core through the tumor periphery, and out to surrounding tissue using custom developed radial profile analysis software. For the tumor bearing mice (n = 10), the mean average apparent diffusion coefficient (ADC) of the tumor core was 1.03 ± 0.02 ( × 10−3 mm2/s), while in the contralateral normal brain it was 0.73 ± 0.03 ( × 10−3 mm2/s). The mean T1 in tumor was 2.03 ± 0.08 s and in normal brain tissue was 1.64 ± 0.06 s. The mean T2 in tumor was 0.062 ± 0.002 s and in normal brain tissue was 0.048 ± 0.001 s. The mean ADC, T1 and T2 of the tumor compared to normal tissue were significantly different (p < 0.005). Copyright © 2004 John Wiley & Sons, Ltd.
Amyotrophic lateral sclerosis: diffusion tensor tractography and voxel‐based analysis
Authors: Abe Osamu , Yamada Haruyasu , Masutani Yoshitaka , Aoki Shigeki , Kunimatsu Akira , Yamasue Hidenori , Fukuda Rinmei , Kasai Kiyoto , Hayashi Naoto , Masumoto Tomohiko , Mori Harushi , Soma Tsutomu , Ohtomo Kuni
Published: September 2004

The purpose of this study is to investigate whether the diffusional anisotropy of water molecules is disrupted in the pyramidal and extra‐pyramidal regions in patients with amyotrophic lateral sclerosis (ALS). We studied seven patients with probable ALS (four women, mean age ± SD, 57.3 ± 6.2 years old) according to the criteria of the World Federation of Neurology. A control group consisted of 11 age‐ and sex‐matched volunteers (six women, 57.1 ± 4.5) without disorders affecting the central nervous system. Voxel‐based diffusion tensor analysis was made with statistical parametric mapping (SPM99). We also created the normalized corticospinal tractography from the diffusion tensor data. The significant fractional anisotropy (FA) decrease in the ALS group was found in the right frontal subgyral white matter and left frontal precentral white matter. These clusters with significant FA decrease corresponded well to the average group map of the corticospinal tract in a standard reference frame. These results suggested that the combination of voxel‐based diffusion tensor analysis and diffusion tensor tractography might help determine the location of the affected neuronal tissues among ALS patients in a non‐invasive manner. Copyright © 2004 John Wiley & Sons, Ltd.
Methodological standardization for a multi‐institutional in vivo trial of localized 31P MR spectroscopy in human cancer research. In vitro and normal volunteer studies
Authors: Arias‐Mendoza F. , Zakian K. , Schwartz A. , Howe F. A. , Koutcher J. A. , Leach M. O. , Griffiths J. R. , Heerschap A. , Glickson J. D. , Nelson S. J. , Evelhoch J. L. , Charles H. C. , Brown T. R. ,   The Cooperative Group on MRS Applications in Cancer
Published: September 2004

A multi‐institutional group has been created to demonstrate the utility of in vivo 31P magnetic resonance spectroscopy (31P‐MRS) to study human cancers in vivo. This review is concerned with the novel problems concerning quality control in this large multinational trial of 31P MRS. Our results show that the careful and systematic performance of the quality control tests depicted here (standardized dual 1H/31P tuned radiofrequency probe, quality control procedures, routine use of 1H irradiation while acquiring 31P MR signals) has ensured comparable results between the different institutions. In studies made in vitro, the root‐mean‐square error was 3.6 %, and in muscle of healthy volunteers in vivo the coefficients of variance for the ratios phosphocreatine/nucleotide‐triphosphates, phosphocreatine/noise and nucleotide‐triphosphate/noise were 12.2, 7.0 and 10.8 %, respectively. The standardization of the acquisition protocol for in vivo‐localized 31P MR spectroscopy across the different institutions has resulted in comparable in vivo data, decreasing the possible problems related to a research study carried out under a multi‐institutional setting. Copyright © 2004 John Wiley & Sons, Ltd.
Numerical solution of second‐order, two‐point boundary value problems using continuous genetic algorithms
Authors: Abo‐Hammour Z. S. , Yusuf M. , Mirza N. M. , Mirza S. M. , Arif M. , Khurshid J.
Published: September 2004

Second‐order, two‐point boundary‐value problems are encountered in many engineering applications including the study of beam deflections, heat flow, and various dynamic systems. Two classical numerical techniques are widely used in the engineering community for the solution of such problems; the shooting method and finite difference method. These methods are suited for linear problems. However, when solving the non‐linear problems, these methods require some major modifications that include the use of some root‐finding technique. Furthermore, they require the use of other basic numerical techniques in order to obtain the solution. In this paper, the author introduces a novel method based on continuous genetic algorithms for numerically approximating a solution to this problem. The new method has the following characteristics; first, it does not require any modification while switching from the linear to the non‐linear case; as a result, it is of versatile nature. Second, this approach does not resort to more advanced mathematical tools and is thus easily accepted in the engineering application field. Third, the proposed methodology has an implicit parallel nature which points to its implementation on parallel machines. However, being a variant of the finite difference scheme with truncation error of the order O(h2), the method provides solutions with moderate accuracy. Numerical examples presented in the paper illustrate the applicability and generality of the proposed method. Copyright © 2004 John Wiley & Sons, Ltd.
Modified Newmark family for non‐linear dynamic analysis
Authors: Bui Q. V.
Published: September 2004

A simple modification of the Newmark scheme is suggested, which keeps the total energy of mechanical systems constant and thereby enhances the unconditional stability in non‐linear dynamic analysis. Numerical damping, which is formulated on an energy basis, is also introduced and the dissipative character of the algorithm is guaranteed in the non‐linear regime. Representative examples in support of such a modified Newmark family are presented. Copyright © 2004 John Wiley & Sons, Ltd.
Gate elements at injection locations in numerical simulations of flow through porous media: applications to mold filling
Authors: Simacek Pavel , Advani Suresh G.
Published: September 2004

Mold filling in polymer and composite processing is usually modelled as a special case of Darcy flow in porous media. The flow pattern and the time necessary to fill the mold depend on the ‘gate’ locations where resin is injected into the closed mold. In composite manufacturing, these are commonly outlets of small tubes transporting resin from a reservoir and their diameters are several orders of magnitude smaller than the mold dimensions. Similar size issue is also encountered in other applications of flow through porous media, such as oil and water pumping and drilling. Traditionally, these inlets are modelled by pressure or flow rate boundary condition as applied at a node of the finite element mesh that represents the injection gate. The omission of the inlet radius in the model results in a mathematical singularity as the mesh gets refined. The computed pressure or flow field depends on the mesh size and does not converge to the accurate solution, as the finite element mesh is refined.

It is possible to deal with this phenomenon by modelling the inlet geometry more accurately but this approach is inefficient, as it requires additional degrees of freedom and, above all, significantly complicates the modelling process if the inlet location is not fixed a priori.

This paper presents a more efficient alternate solution. It uses special ‘gate’ elements embedded in the mesh around the injection locations. Instead of adjusting the geometrical modelling of the injection location, the adjacent elements use modified shape functions to accurately model pressure field in the neighbourhood of small radial inlet. The proper pressure field shape‐functions for ‘gate’ elements based on linear finite elements are derived. The implementation in an existing mold filling simulation and how the ‘gate elements’ are automatically selected is described. An example to demonstrate the use of ‘gate’ elements and convergence towards the accurate solution with mesh refinement is presented. Copyright © 2004 John Wiley & Sons, Ltd.
Hybrid‐stress six‐node prismatic elements
Authors: Sze K. Y. , Liu X. H. , Lo S. H.
Published: September 2004

This paper presents three novel hybrid‐stress six‐node prismatic elements. Starting from the element displacement interpolation, the equilibrating non‐constant stress modes for the first element are identified and orthogonalized with respect to the constant stress modes for higher computational efficiency. For the second element, the non‐constant stress modes are non‐equilibrating and chosen for the sake of stabilizing the reduced‐integrated element. The first two elements are intended for three‐dimensional continuum analysis with both passing the patch test for three‐dimensional continuum elements. The third element is primarily intended for plate/shell analysis. Shear locking is alleviated by a new assumed strain scheme which preserves the element accuracy with respect to the twisting load. Furthermore, the Poisson's locking along the in‐plane and out‐of‐plane directions is overcome by using the hybrid‐stress modes of the first element. The third element passes the patch test for plate/shell elements. Unless the element assumes the right prismatic geometry, it fails the patch test for three‐dimensional continuum elements. It will be seen that all the proposed elements are markedly more accurate than the conventional fully integrated element. Copyright © 2004 John Wiley & Sons, Ltd.
Articulated mechanism design with a degree of freedom constraint
Authors: Kawamoto A. , Bendsøe M. P. , Sigmund O.
Published: September 2004

This paper deals with design of articulated mechanism using a truss‐based ground‐structure representation. The proposed method can accommodate extremely large displacement by considering geometric non‐linearity. In addition, it can also control the mechanical degrees of freedom (DOF) of the resultant mechanism by using a DOF equation based on Maxwell's rule. The optimization is based on a relaxed formulation of an original integer problem and also involves developments directed at handling the redundancy inherent in the ground‐structure representation. One planar test example is selected as the basis for the developments so as to compare the proposed method with other alternative approaches including a graph‐theoretical enumeration approach which guarantees the identification of the globally optimal solution. Also, an inverter problem is treated where a continuation method is required in order to direct the optimization algorithm towards an integer solution. Copyright © 2004 John Wiley & Sons, Ltd.
Four‐node incompatible plane and axisymmetric elements with quadratic completeness in the physical space
Authors: Huang Y. Q. , Li Q. S.
Published: September 2004

In this paper, four‐node incompatible elements with quadratic completeness in the physical space are developed for plane and axisymmetric problems. Various revision techniques of the incompatible strain matrix or shape function are proposed to guarantee the incompatible elements to pass the constant stress patch test. In contrast with other elements in the same level, the present one gives reasonable stress solutions without any stress recovery such as the bilinear extrapolation and least square approximation. Numerical examples are given to investigate the accuracy, sensitivity to mesh distortion and locking in the incompressible calculation of the present method when irregular coarse meshes are used. Copyright © 2004 John Wiley & Sons, Ltd.
Optimization of support positions to maximize the fundamental frequency of structures
Authors: Wang D. , Jiang J. S. , Zhang W. H.
Published: September 2004

In this paper, the position optimization of simple supports is implemented to maximize the fundamental frequency of a beam or plate structure. Both elastic and rigid supports are taken into account. First, the frequency sensitivity with respect to the movement of a simple support is derived using the discrete method. By means of the shape functions of the finite element method, closed‐form sensitivity formulations are developed straightforwardly. Then, a heuristic approach, called evolutionary shift method, is presented for optimizing support positions with a fixed grid mesh scheme. Based on the design sensitivity analysis, the support with the highest efficiency is shifted in priority along the elementary edges with the interval (step) of the elementary size. To facilitate the convergence of the process, the interpolation technique is employed to evaluate the solution more accurately. Finally, three numerical examples are presented to demonstrate the validity of the sensitivity analysis and the effectiveness of the optimization method. Copyright © 2004 John Wiley & Sons, Ltd.
An efficient method for decomposition of regular structures using graph products
Authors: Kaveh A. , Rahami H.
Published: September 2004

In this paper an efficient method is presented for calculating the eigenvalues of regular structural models. A structural model is calledregularif they can be viewed as the direct or strong Cartesian product of some simple graphs known as theirgenerators. The eigenvalues of the adjacency and Laplacian matrices for a regular graph model are easily obtained by the evaluation of eigenvalues of its generators. The second eigenvalue of the Laplacian of a graph is also obtained using a much faster and much simple approach than the existing methods. Copyright © 2004 John Wiley & Sons, Ltd.
‘How we think they think’: thought styles in the management of international aid
Authors: Curtis Donald
Published: September 2004

Aid administration is characterised by high moral objectives and often frustratingly low achievements. This article explores the idea that the problem lies not in inadequate policy or instruments as such but in the thinking processes that emerge within policy circles, at delivery levels within aid administration and at the interface between donor and recipient, to which the trade likes to apply the notion of ‘partnership’. Cultural Theory identifies three distinct and often contradictory ways of thinking that reflect individualist, group and hierarchical value premises. It is adopted here to explore how these types of thinking apply within aid administration, finding that the policy process is a surprisingly ‘groupie’ kind of activity, emphasising the sharing of values and understandings within donor circles. Delivery agents (donor field offices) by contrast are under hierarchical pressure to turn the outcomes into packaged deliverables, whether the ‘good’ is packageable or not. Supported by NPM orthodoxies, these agents seek control through linear programming and performance monitoring. A third contradiction is revealed when the donor attempts to bring such packages into a partnership relationship with recipient governments. Partnership is about sharing and dealing. But what the recipient is offered is a package with Henry Ford type characteristics: ‘any colour you like (social aspiration), as long as it is black (PRSP formula)’. The article is biased; from the perspective of a consultant caught in the middle; but if there is truth in the findings it might just open the door to new styles of aid relationship and novel delivery vehicles. Copyright © 2004 John Wiley & Sons, Ltd.
Structural and solvent effects on rates of solvolysis of secondary alkyl substrates—an update
Authors: Bentley T. William , Roberts Ian
Published: September 2004

Rate constants for solvolyses of secondary alkyl tosylates in fluorinated media [including hexafluoropropan‐2‐ol (HFIP), hexafluoroacetone sesquihydrate, and trichloromethylbis(trifluoromethyl)carbinol] are reported. Rates of solvolysis of 2‐adamantyl p‐toluenesulfonate in 97% (w/w) HFIP–water at 25°C are neither retarded by the addition of NaOTs nor accelerated greatly by NaClO4. The α‐deuterium kinetic isotope effect for solvolyses of 1‐(1‐adamantyl)ethyl methanesulfonate in 20% acetone–water at 25°C is 1.14. Mechanistic implications of these results are discussed. Copyright © 2004 John Wiley & Sons, Ltd.
Ionic liquids: solvent properties and organic reactivity
Authors: Chiappe Cinzia , Pieraccini Daniela
Published: September 2004

Ionic liquids are a fascinating class of novel solvents, which are attracting attention as possible ‘green’ alternative to volatile molecular organic solvents to be applied in catalytic and organic reactions and electrochemical and separation processes. Over 200 room temperature ionic liquids are known but for most of them physico‐chemical data are incomplete or lacking. Furthermore, despite the incredible number of potential ionic liquids (evaluated as  > 1014), generally only a few imidazolium‐based salts are used in synthesis. Moreover, most of the data reported to date were focused on the effect that these new solvents have on chemical reaction products; only a few reports evidence the effect on reaction mechanisms or rate or equilibrium constants. In this review, the physico‐chemical properties of the most used ionic liquids, that are relevant to synthesis, are discussed and a decided emphasis is placed on those properties that most clearly illuminate the ability of ionic liquids to affect the mechanistic aspects of some organic reactions. Copyright © 2004 John Wiley & Sons, Ltd.
Synthesis of poly(L‐lactide)‐grafted pullulan through coupling reaction between amino group end‐capped poly(L‐lactide) and carboxymethyl pullulan and its aggregation behavior in water
Authors: Ouchi Tatsuro , Minari Tetsuji , Ohya Yuichi
Published: September 2004

Poly(L‐lactide) (PLLA) with terminal primary amino groups (PLLA‐NH2) was synthesized and used to construct PLLA‐grafted pullulan (Pul‐g‐PLLA). It consisted of a hydrophilic carboxymethyl Pul (CM‐Pul) main chain and hydrophobic PLLA graft chains that were created through a direct coupling reaction between PLLA‐NH2 and CM‐Pul using 2‐ethoxy‐1‐(ethoxycarbonyl)‐1,2‐dihydroquinoline as a condensation reagent. Pul‐g‐PLLAs with over 78 wt % sugar unit content were found to form nanometer‐sized aggregates in water. © 2004 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 42: 5482–5487, 2004
Unexpected end‐groups of poly(acrylic acid) prepared by RAFT polymerization
Authors: Llauro Marie‐France , Loiseau Julien , Boisson Fernande , Delolme Frédéric , Ladavière Catherine , Claverie J.
Published: September 2004

Low‐molecular‐weight poly(acrylic acid) (PAA) was synthesized by reversible addition fragmentation chain transfer polymerization with a trithiocarbonate as chain‐transfer agent (CTA). With a combination of NMR spectroscopy and matrix‐assisted laser desorption/ionization time‐of‐flight mass spectrometry, the PAA end‐groups of the polymer were analyzed before and after neutralization by sodium hydroxide. The polymer prior to neutralization is made up of the expected trithiocarbonate chain‐ends and of the H‐terminated chains issued from a reaction of transfer to solvent. After neutralization, the trithiocarbonates are transformed into thiols, disulfides, thiolactones, and additional H‐terminated chains. By quantifying the different end‐groups, it was possible to demonstrate that fragmentation is the rate limiting step in the transfer reaction. © 2004 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 42: 5439–5462, 2004
Fracture toughening of epoxy matrices with blends of resins of different molecular weights and other modifiers
Authors: Zubeldia A. , Larrañaga M. , Remiro P. , Mondragon I.
Published: September 2004

The microstructure and fracture behavior of epoxy mixtures containing two monomers of different molecular weights were studied. The variation of the fracture toughness by the addition of other modifiers was also investigated. Several amounts of high‐molecular‐weight diglycidyl ether of bisphenol A (DGEBA) oligomer were added to a nearly pure DGEBA monomer. The mixtures were cured with an aromatic amine, showing phase separation after curing. The curing behavior of the epoxy mixtures was investigated with thermal measurements. A significant enhancement of the fracture toughness was accompanied by slight increases in both the rigidity and strength of the mixtures that corresponded to the content of the high‐molecular‐weight epoxy resin. Dynamic mechanical and atomic force microscopy measurements indicated that the generated two‐phase morphology was a function of the content of the epoxy resin added. The influence of the addition of an oligomer or a thermoplastic on the morphologies and mechanical properties of both epoxy‐containing mixtures was also investigated. © 2004 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 42: 3920–3933, 2004
Interfacial effects in organophilic montmorillonite–poly(ϵ‐caprolactone) nanocomposites
Authors: Pucciariello Rachele , Villani Vincenzo , Langerame Fausto , Gorrasi Giuliana , Vittoria Vittoria
Published: September 2004

In the last few years much progress has been made in the development of hybrid polymer–inorganic filler nanocomposites. Nevertheless, many questions remain. The comprehension of the structure and the interactions at the polymer–nanofiller interface are crucial to foresee and control the properties of nanocomposites. Because of the high surface ratio of the inorganic nanofiller, the interface is expected to have a prevailing role in determining the nanocomposite properties. In this study we use X‐ray photoelectron spectroscopy (XPS) as a tool for the surface characterization of an organophilic montmorillonite/poly(ε‐caprolactone) exfoliated nanocomposite. The XPS core levels of the nanocomposite have been compared with those obtained from its precursors, and analyzed as reference compounds to evaluate eventual differences attributable to the polymer–nanofiller interfacial interactions. The XPS investigation has allowed us to propose a qualitative model of possible interface interactions between poly(ε‐caprolactone) and the organo‐modified montmorillonite. The model is substantiated by Fourier transform infrared spectroscopy (FTIR). © 2004 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 42: 3907–3919, 2004
Hylleraas method for many‐electron atoms. I. The Hamiltonian
Authors: Ruiz María Belén
Published: September 2004

A general expression for the nonrelativistic Hamiltonian for n‐electron atoms with the fixed nucleus approximation is derived in a straightforward manner using the chain rule. The kinetic energy part is transformed into the mutually independent distance coordinates ri, rij, and the polar angles θi, and φi. This form of the Hamiltonian is very appropriate for calculating integrals using Slater orbitals, not only of states of S symmetry, but also of states with higher angular momentum, as P states. As a first step in a study of the Hylleraas method for five‐electron systems, variational calculations on the 2P ground state of boron atom are performed without any interelectronic distance. The orbital exponents are optimized. The single‐term reference wave function leads to an energy of −24.498369 atomic units (a.u.) with a virial factor of η = 2.0000000009, which coincides with the Hartree–Fock energy −24.498369 a.u. A 150‐term wave function expansion leads to an energy of −24.541246 a.u., with a factor of η = 1.9999999912, which represents 28% of the correlation energy. © 2004 Wiley Periodicals, Inc. Int J Quantum Chem, 2005
Hylleraas method for many‐electron atoms. II. Integrals over wave functions with one interelectronic coordinate
Authors: Belén Ruiz María
Published: September 2004

A procedure is proposed to evaluate matrix elements containing r linked with angular functions. Using this procedure, the different types of two‐, three‐, and four‐electron radial and angular integrals that appear in a five‐electron atom, in the case of only one rij coordinate per basis function, are written in a compact form, separated in radial coordinates of one electron. The general formulas with which to obtain the integrals for powers ν ≥ 1 are developed, based on the orthogonality of the Legendre polynomials. © 2004 Wiley Periodicals, Inc. Int J Quantum Chem, 2005
Application of algebraic method to the high overtones of C6H6 and C6D6
Authors: Lu Daoming , Lu Liping , Ping Jialun
Published: September 2004

Both the spectra and infrared transition strengths of C6H6 and C6D6 for the CH stretching overtones up to as high as v = 10 are described in high precision with few parameters (six for the spectra and four for the transition strengths) by the Iachello–Oss algebraic model. The Hamiltonian model is solved in the symmetry adapted bases, which are constructed by the symmetrized boson representation (SBR) technique. The results show that the combination of the algebraic method and SBR technique is a powerful method for describing vibrations of large molecules and high overtones. © 2004 Wiley Periodicals, Inc. Int J Quantum Chem, 2005
Influence of the electric field on a particle in a space with a disclination
Authors: Azevedo Sérgio
Published: September 2004

We consider a quantum particle in a space with a linear topological defect, i.e., disclination. The effect of the uniform electric field in this space, on the particle, is shown to cause a translation of the wave function. In addition, the electric field is not found to be affected by the defect. © 2004 Wiley Periodicals, Inc. Int J Quantum Chem, 2005
Construction of characteristic polynomial of reciprocal graphs from the number of pendant vertices
Authors: Mandal Bholanath , Banerjee Manas , Mukherjee Asok K.
Published: September 2004

A method for construction of the characteristic polynomial (CP) coefficients of the three classes of reciprocal graphs, viz., Ln + n(p), Cn + n(p), and K1,n−1 + n(p), has been developed that requires only the value of n. The working formulas have been expressed in matrix product form, computer programs for which can easily be developed. © 2004 Wiley Periodicals, Inc. Int J Quantum Chem, 2005
Structure and stability of B8 clusters
Authors: Li Qianshu , Zhao Yi , Xu Wenguo , Li Nan
Published: September 2004

We investigated various isomers of B8 clusters with ab initio (MP2) and density function theory (DFT) methods (B3LYP and B3PW91). Nineteen B8 isomers were determined to be local minima on their potential energy hypersurfaces by the B3LYP, B3PW91, and MP2 methods. Fifteen of these structures are first reported. The most stable neutral B8 cluster is the regular heptagon, with another boron atom at the center (D7h, triplet), in agreement with results reported previously. The natural bond orbital (NBO) analysis and nucleus‐independent chemical shifts (NICS) further reveal that the most stable species have delocalized π bond and multicentered σ bonds and therefore exhibit multiple‐fold aromaticity. © 2004 Wiley Periodicals, Inc. Int J Quantum Chem, 2005
Computer simulations of voltage‐gated potassium channel KvAP
Authors: Tieleman D. Peter , Robertson Kindal M. , Maccallum Justin L. , Monticelli Luca
Published: September 2004

The recent crystal structures of the voltage‐gated potassium channel KvAP and its isolated voltage‐sensing “paddle” (composed of segments S1 to S4) (Jiang et al., Nature 2003, 423, 33–41) challenged existing models of voltage gating and encouraged a large number of experimental and theoretical studies to answer a number of questions about the structure of the physiologically relevant states of voltage‐gated potassium channels and their gating mechanism. We describe equilibrium simulations of the KvAP crystal structure. The crystal structure of the full channel undergoes a large conformational change, localized to the S1–S4 domains, as the S1–S4 domains move into the membrane. We also present a model of the closed state, in agreement with the position of the paddle in the paddle model of voltage gating. Finally, we estimate the energetic cost of transferring a single arginine sidechain from water into an octane slab with the approximate hydrophobic thickness of a membrane. © 2004 Wiley Periodicals, Inc. Int J Quantum Chem, 2004