bluuebunny/crossref_metadata_2025_split huggingface dataset:
Effect of moisture‐ingress on adhesion energy in a metal oxide‐polymer system
Authors: Devasahayam Sheila 
Published: December 2005

AbstractThis work quantifies the damage caused by moisture in a metal coating system under extreme weathering conditions, using Variable Radius Roll Adhesion Test (VaRRAT). Interfacial toughness (adhesion energy) between the metal oxide and the polymer in painted steel panels, studied by using VaRRAT, is observed to fall with increasing temperature and time of exposure to moisture. Possible cause for irreversible loss in adhesion energy in the paint system is attributed to the sorption of free water at the metal oxide–polymer interface. Different failure responses were observed in two different paint–metal systems. Adsorption or diffusion in the Henry's mode is rate controlling in green paints as indicated by the low activation energy of 12 kJ mol−1. The white samples showed a high activation energy of 30 kJ mol−1, indicating a mixed process of diffusion as well as chemical to be rate determining. Different paint/binder ratios are responsible for the different responses of these samples. © 2005 Wiley Periodicals, Inc. J Appl Polym Sci, 2006
Three‐dimensional cell seeding and growth in radial‐flow perfusion bioreactor for in vitro tissue reconstruction
Authors: Kitagawa Tatsuya , Yamaoka Tetsuji , Iwase Reiko , Murakami Akira 
Published: December 2005

AbstractRadial‐flow perfusion bioreactor systems have been designed and evaluated to enable direct cell seeding into a three‐dimensional (3‐D) porous scaffold and subsequent cell culture for in vitro tissue reconstruction. However, one of the limitations of in vitro regeneration is the tissue necrosis that occurs at the central part of the 3‐D scaffold. In the present study, tubular poly‐L‐lactic acid (PLLA) porous scaffolds with an optimized pore size and porosity were prepared by the lyophilization method, and the effect of different perfusion conditions on cell seeding and growth were compared with those of the conventional static culture. The medium flowed radially from the lumen toward the periphery of the tubular scaffolds. It was found that cell seeding under a radial‐flow perfusion condition of 1.1 mL/cm2 · min was effective, and that the optimal flow rate for cell growth was 4.0 mL/cm2 · min. At this optimal rate, the increase in seeded cells in the perfusion culture over a period of 5 days was 7.3‐fold greater than that by static culture over the same period. The perfusion cell seeding resulted in a uniform distribution of cells throughout the scaffold. Subsequently, the perfusion of medium and hence the provision of nutrients and oxygen permitted growth and maintenance of the tissue throughout the scaffold. The perfusion seeding/culture system was a much more effective strategy than the conventional system in which cells are seeded under a static condition and cultured in a bioreactor such as a spinner flask. © 2005 Wiley Periodicals, Inc.
Gender and psychopathy: an overview of important issues and introduction to the special issue
Authors: Nicholls Tonia L. , Petrila John 
Published: December 2005

AbstractOne of the most important concepts to ever emerge in forensic psychology and law is psychopathy. It would be difficult to exaggerate the profound effect the construct has had on research and practice in correctional psychology, psychiatry, and criminology. Much less pronounced has been an interest in understanding the potential relevance and practical implications that this personality disorder might have for providing insights into antisocial behaviors and crimes committed by girls and women. In this paper we provide an overview of some of the pressing issues confronting clinicians and researchers and provide an introduction to this special issue dedicated to gender and psychopathy. Copyright © 2005 John Wiley & Sons, Ltd.
A Theoretical Investigation of the Nonrigid Six‐Coordinate Compounds [Mo(R)F5], [W(R)F5], and Related Compounds
Authors: Santiso Quiñones Gustavo , Seppelt Konrad 
Published: December 2005

AbstractDensity functional calculations for [M(CH3)F5], [M(CF3)F5], [M(CH3S)F5], and [M(CF3S)F5] (M=Mo, W) show that they are expected to be nonrigid molecules, with energy barriers for the octahedral–trigonal‐prismatic interchange as low as 7.2 kJ mol−1. The ground state for the CH3 and CF3 compounds is trigonal prismatic, for the CH3S and CF3S compounds, (distorted) octahedral. All calculated compounds [M(C6F5)nF6−n] (M=Mo, W) have a trigonal‐prismatic ground state, whereas the situation for [M(C6H5)nF6−n] (M=Mo, W) is more complex.
Polynuclear Bismuth‐Oxo Clusters: Insight into the Formation Process of a Metal Oxide
Authors: Mehring Michael , Mansfeld Dirk , Paalasmaa Sanna , Schürmann Markus 
Published: December 2005

AbstractThe reaction of the bismuth silanolates [Bi(OSiR2R′)3] (R = R′ = Me, Et, iPr; R = Me, R′ = tBu) with water has been studied. Partial hydrolysis gave polynuclear bismuth‐oxo clusters whereas amorphous bismuth‐oxo(hydroxy) silanolates were obtained when an excess of water was used in the hydrolysis reaction. The metathesis reaction of BiCl3 with NaOSiMe3 provided mixtures of heterobimetallic silanolates. The molecular structures of [Bi18Na4O20(OSiMe3)18] (2), [Bi33NaO38(OSiMe3)24]⋅3 C7H8 (3⋅3 C7H8), [Bi50Na2O64(OH)2(OSiMe3)22]⋅2 C7H8⋅2 H2O (4⋅2 C7H8⋅2 H2O), [Bi4O2(OSiEt3)8] (5), [Bi9O7(OSiMe3)13]⋅0.5 C7H8 (6⋅0.5 C7H8), [Bi18O18(OSiMe3)18]⋅2 C7H8 (7⋅2 C7H8) and [Bi20O18(OSiMe3)24]⋅3 C7H8 (8⋅3 C7H8) are presented and compared with the solid‐state structures of [Bi22O26(OSiMe2tBu)14] (9) and β‐Bi2O3. Compound 2 crystallises in the triclinic space group P$\bar 1$ with the lattice constants a = 17.0337(9), b = 19.5750(14), c = 26.6799(16) Å, α = 72.691(4), β = 73.113(4) and γ = 70.985(4)°; compound 3⋅3 C7H8 crystallises in the monoclinic space group P21/n with the lattice constants a = 20.488(4), b = 22.539(5), c = 26.154(5) Å and β = 100.79(3)°; compound 4⋅2 C7H8⋅2 H2O crystallises in the monoclinic space group P21/n with the lattice constants a = 20.0518(12), b = 24.1010(15), c = 27.4976(14) Å and β = 103.973(3)°; compound 5 crystallises in the monoclinic space group P21/c with the lattice constants a = 25.256(5), b = 15.372(3), c = 21.306(4) Å and β = 113.96(3)°; compound 6⋅0.5 C7H8 crystallises in the triclinic space group P$\bar 1$ with the lattice constants a = 15.1916(9), b = 15.2439(13), c = 22.487(5) Å, α = 79.686(3), β = 74.540(5) and γ = 66.020(4)°; compound 7⋅2 C7H8 crystallises in the triclinic space group P$\bar 1$ with the lattice constants a = 14.8295(12), b = 16.1523(13), c = 18.4166(17) Å, α = 75.960(4), β = 79.112(4) and γ = 63.789(4)°; and compound 8⋅3 C7H8 crystallises in the triclinic space group P$\bar 1$ with the lattice constants a = 17.2915(14), b = 18.383(2), c = 18.4014(18) Å, α = 95.120(5), β = 115.995(5) and γ = 106.813(5)°. The molecular structures of the bismuth‐rich compounds are related to the CaF2‐type structure. Formally, the hexanuclear [Bi6O8]2+ fragment might be described as the central building unit, which is composed of bismuth atoms placed at the vertices of an octahedron and oxygen atoms capping the trigonal faces. Depending on the reaction conditions and the identity of R, the thermal decomposition of the hydrolysis products [BinOl(OH)m(OSiR3)3n−(2l−m)] gives α‐Bi2O3, β‐Bi2O3, Bi12SiO20 or Bi4Si3O12.
Catalytic Cycloisomerization of Enynes by Using a Nickel‐Zinc‐Acid System
Authors: Ikeda Shin‐ichi , Daimon Natsuko , Sanuki Reiko , Odashima Kazunori 
Published: December 2005

AbstractCatalytic cycloisomerization of enynes has been accomplished in the presence of an Ni0‐PPh3‐Zn‐carboxylic acid or ‐ZnCl2 system. A nickel(I)–hydride complex, thought to be generated by reduction of the protonated nickel(II) complex with Zn, is proposed as the catalytic species. This cycloisomerization shows reactivity behavior that is different from that of a conventional metal‐catalyzed reaction. In particular, in the reaction with (E)‐enynes, the catalytic system has a selectivity that favors the formation of the 1,3‐diene over the 1,4‐diene. In addition, this catalytic system has been applied to the domino cyclization of dienynes for the construction of tricyclic compounds.
Dynamics in Host–Guest Complexes of Molecular Tweezers and Clips
Authors: Lobert Matthias , Bandmann Heinz , Burkert Ulrich , Büchele Uta P. , Podsadlowski Viola , Klärner Frank‐Gerrit 
Published: December 2005

AbstractThe dynamics in the host–guest complexes of the molecular tweezers 1 a,b and clips 2 a,b with 1,2,4,5‐tetracyanobenzene (TCNB, 3) and tropylium tetrafluoroborate (4) as guest molecules were analyzed by temperature‐dependent 1H NMR spectroscopy. The TCNB complexes of tweezers 1 a,b were found to be particularly stable (dissociation barrier: ΔG≠=16.8 and 15.7 kcal mol−1, respectively), more stable than the TCNB complexes of clips 2 a,b and the tropylium complex of tweezer 1 b (dissociation barrier: ΔG≠=12.4, 11.2, and 12.3 kcal mol−1, respectively). A detailed analysis of the kinetic and thermodynamic data (especially the negative entropies of activation found for complex dissociation) suggests that in the transition state of dissociation the guest molecule is still clipped between the aromatic tips of the host molecule. The 1H NMR analysis of the TCNB complexes 3@1 b and 3@2 a at low temperatures (T<−80 °C) showed that 3 undergoes fast rotation inside the cavity of tweezer 1 b or clip 2 a (rotational barrier: ΔG≠=11.7 and 8.3 kcal mol−1, respectively). This rotation of a guest molecule inside the host cavity can be considered to be the dynamic equilibration of noncovalent conformers. In the case of clip complex 3@2 a the association and rotational barriers are smaller by ΔΔG≠=3–4 kcal mol−1 than those in tweezer complexes 3@1 a,b. This can be explained by the more open topology of the trimethylene‐bridged clips compared to the tetramethylene‐bridged tweezers. Finally, the bromo substituents in the newly prepared clip 2 b have a substantial effect on the kinetics and thermodynamics of complex formation. Clip 2 b forms weaker complexes with (TCNB, 3) and tetracyanoquinodimethane (TCNQ, 12) and a more stable complex with 2,4,7‐trinitrofluoren‐9‐ylidene (TNF, 13) than the parent clip 2 a. These results can be explained by a less negative electrostatic potential surface (EPS) inside the cavity and a larger van der Waals contact surface of 2 b compared to 2 a. In the case of the highly electron‐deficient guest molecules TCNB and TCNQ the attractive electrostatic interaction is predominant and hence responsible for the thermodynamic complex stability, whereas in the case of TNF with its extended π system, dispersion forces are more important for host–guest binding.
Estrogen receptor‐β expression in extraabdominal fibromatoses
Authors: Deyrup Andrea T. , Tretiakova Maria , Montag Anthony G. 
Published: December 2005

AbstractBACKGROUNDEarly experiments using ligand‐binding assays demonstrated the presence of estrogen receptor (ER) in fibromatoses. These findings were not confirmed by later studies using immunohistochemical analysis.METHODSTo verify the expression of ERs in fibromatosis as well as to clarify the inconsistency between radioligand and early immunohistochemical studies, the authors examined a series of 40 extraabdominal fibromatoses using antibodies raised against ERβ.RESULTSAll 40 cases of extraabdominal fibromatosis were at least focally positive for ERβ. Thirty‐three of 40 (83%) displayed 3+ (>50%) expression, 5 of 40 (12%) were 2+ (11–50%), and 2 of 40 (5%) cases showed 1+ (<10%) expression. All cases were negative for ERα.CONCLUSIONSAlthough extraabdominal fibromatosis does not express ERα, there appears to be nearly uniform expression of ERβ. This finding clarifies discrepancies in the literature regarding estrogen expression in fibromatosis, and provides a biological mechanism for the action of antiestrogenic compounds in the treatment of fibromatosis. Estrogen antagonists may have a role in the treatment of refractory or recurrent extraabdominal fibromatoses. Cancer 2006. © 2005 American Cancer Society.
Impact of concurrent proliferative high‐risk lesions on the risk of ipsilateral breast carcinoma recurrence and contralateral breast carcinoma development in patients with ductal carcinoma in situ treated with breast‐conserving therapy
Authors: Adepoju Linda J. , Symmans W. Fraser , Babiera Gildy V. , Singletary S. Eva , Arun Banu , Sneige Nour , Pusztai Lajos , Buchholz Thomas A. , Sahin Aysegul , Hunt Kelly K. , Meric‐Bernstam Funda , Ross Merrick I. , Ames Frederick C. , Kuerer Henry M. 
Published: December 2005

AbstractBACKGROUNDThe purpose of the study was to determine the risk of ipsilateral breast carcinoma recurrence (IBCR) and contralateral breast carcinoma (CBC) development in patients with a concurrent diagnosis of ductal carcinoma in situ (DCIS) with atypical ductal hyperplasia (ADH), atypical lobular hyperplasia (ALH), or lobular carcinoma in situ (LCIS).METHODSRecords of all 307 patients with DCIS treated with breast‐conserving treatment (BCT) from 1968 to 1998 were analyzed. Initial pathology reports and all slides available were re‐reviewed for evidence of ADH, ALH, or LCIS. Actuarial local recurrence rates were calculated.RESULTSFifty‐five cases of DCIS were associated with ADH, 11 with ALH or LCIS, and 14 with both ADH and ALH or LCIS. Overall, IBCR occurred in 14% and no significant difference in the IBCR rate was identified for patients with proliferative lesions compared with patients without these lesions (P = 0.38). Development of CBC in patients with concurrent DCIS and ADH was 4.4 times (95% confidence interval [CI], 1.44–13.63) that in patients with DCIS alone (P < 0.01). The 15‐year cumulative rate of CBC development was 22.7% in patients with ALH or LCIS compared with 6.5% in patients without these lesions (P = 0.30) and 19% in patients with ADH compared with 4.1% in patients with DCIS alone (P < 0.01).CONCLUSIONThe risk of CBC development is higher with concurrent ADH than in patients with DCIS alone, and these patients may therefore be appropriate candidates for additional chemoprevention strategies. Concurrent ADH, ALH, or LCIS with DCIS is not a contraindication to BCT. Cancer 2006. © 2005 American Cancer Society.
Lithium Hydroxide Phase Transition under High Pressure: An Ab Initio Molecular Dynamics Study
Authors: Pagliai Marco , Iannuzzi Marcella , Cardini Gianni , Parrinello Michele , Schettino Vincenzo 
Published: December 2005

AbstractThe high‐pressure phase transition in the deuterated lithium hydroxide crystalline state has been studied by Car–Parrinello molecular dynamics simulations, in the constant‐pressure, constant‐temperature ensemble. The recently developed metadynamics approach has been applied to encourage the system to transform into different phases in an affordable simulation time. A previously not completely characterized high‐pressure phase has been obtained. The structural and spectroscopic properties have been studied and compared with the neutron scattering, infrared and Raman measurements. It has been found that the calculated structure differs slightly from the experimental hypothesis, and that the presence of strong hydrogen bonds is the source of the red shift and of the characteristic features of the OD‐stretching bands in both IR and Raman spectra.
On a modification of GLS stabilized FEM for solving incompressible viscous flows
Authors: Burda P. , Novotný J. , Šístek J. 
Published: December 2005

AbstractWe deal with 2D flows of incompressible viscous fluids with high Reynolds numbers. Galerkin Least Squares technique of stabilization of the finite element method is studied and its modification is described. We present a number of numerical results obtained by the developed method, showing its contribution to solving flows with high Reynolds numbers. Several recommendations and remarks are included. We are interested in positive as well as negative aspects of stabilization, which cannot be divorced. Copyright © 2005 John Wiley & Sons, Ltd.
Adverse hypersensitivity reactions to mesna as adjunctive therapy for cyclophosphamide
Authors: Khaw Seong L. , Downie Peter A. , Waters Keith D. , Ashley David M. , Heath John A. 
Published: December 2005

AbstractMesna is widely used for the prevention of cyclophosphamide‐related hemorrhagic cystitis. It has been associated with hypersensitivity‐like cutaneous and systemic reactions in adult patients. We report a series of children with malignant disease, who developed such reactions following mesna adminstration and discuss possible mechanisms and management issues. Pediatr Blood Cancer 2007;49:341–343. © 2005 Wiley‐Liss, Inc.
Prediction of target CD34 positive cells following leukopheresis in children with neuroblastoma
Authors: Schroeder Henrik , Kamperis Konstatinos , Grunnet Niels , Hokland Peter 
Published: December 2005

AbstractBackgroundMyeloablative chemotherapy followed by autologous stem cell transplantation (ASCT) may improve long‐term survival in children with disseminated neuroblastoma. In children it is important to be able to ascertain when to start the leukopheresis in order to keep the number of procedures to a minimum.ProcedureTwenty‐three children with high‐risk neuroblastoma with a median weight of 13 kg (range 8–16 kg). Stem cell collection was planned to start at day 14 after the start of the preceding induction standard chemotherapy and after 4 days of G‐CSF treatment at 10 µg/kg body weight once daily subcutaneously. Normal volume leukopheresis (median 2.2 times the blood volume of the child) was carried out using a CS‐3000 Plus Blood Cell Separator. A pre‐collection peripheral blood CD34+ count of >20/µl was a prerequisite for initiating the stem cell collection.ResultsTimely leukopheresis was carried out in 19/23 patients. In 17 (74%) of the patients the target number of CD34+ cells/kg body weight was obtained in one procedure; in the remaining the target number of stem cells was obtained after leukopheresis on the following day. A highly significant correlation was found between the pre‐harvest CD34+ count from the peripheral blood and the total number of collected CD34+ cells/kg (r = 0.79, P < 0.001).ConclusionWhen the pre‐harvest CD34+ count was >40/µl, a sufficient number of CD34+ stem cells was collected in a single procedure in 15 out of 16 cases. © 2005 Wiley‐Liss, Inc.
Malignant triton tumor in a patient with Li‐Fraumeni syndrome and a novel TP53 mutation
Authors: Chao Mwe Mwe , Levine John E. , Ruiz Robert E. , Kohlmann Wendy K. , Bower Matthew A. , Petty Elizabeth M. , Mody Rajen J. 
Published: December 2005

AbstractWe report a 3‐year‐old boy with a malignant triton tumor (MTT) involving the left masticator space with local invasion and regional lymph node metastasis. Family history and detection of a novel germline TP53 mutation confirmed his diagnosis of Li Fraumeni syndrome (LFS). MTT has not been previously described in association with LFS. This case along with a comprehensive review of the literature, illustrate the importance of both somatic and germline TP53 mutations in the pathogenesis MTT. The tumor could not be resected and he was successfully treated with intensive induction chemotherapy, irradiation, and high‐dose chemotherapy with autologous stem cell transplantation. Pediatr Blood Cancer 2007;49:1000–1004. © 2005 Wiley‐Liss, Inc.
Analysis of organochlorine pesticides in wine by solvent bar microextraction coupled with gas chromatography with tandem mass spectrometry detection
Authors: Chia Kan‐Jung , Huang Shang‐Da 
Published: December 2005

AbstractA solvent bar microextraction (SBME) technique combined with gas chromatography/tandem mass spectrometry (GC/MS/MS), for the determination of selected organochlorine pesticides (OCPs) in wine samples, is described. In this work the OCPs were extracted and dissolved in a 2‐µL aliquot of organic extraction solvent (n‐tetradecane) confined within a 1.7‐cm length of hollow fiber. Both ends of the hollow fiber (solvent bar) were sealed, and it was placed in an aqueous sample solution for extraction. The effects of solvent selection, sample agitation, extraction time, extraction temperature, and salt concentration on the SBME performance were optimized. The influence of aqueous sample/organic solvent phase ratio was further investigated in detail. High enrichments (1900–7100‐fold) could be obtained at an aqueous sample/organic solvent volume ratio of 20 mL/2 µL in this study. Good extraction repeatabilities were obtained with relative standard deviation (RSD) values below 12.6%. Comparisons of sensitivity and precision between SBME and dynamic hollow‐fiber liquid‐phase microextraction were also investigated. Copyright © 2005 John Wiley & Sons, Ltd.
Scope analysis: identifying the impact of changes in business process models
Authors: Soffer Pnina 
Published: December 2005

AbstractOrganizations often change their business processes in reaction to changes in the environment or as a result of improvement efforts. These changes lead to adjustments in the Business Process Support (BPS) system. The impact of a change in a business process may extend beyond the specific point that has been changed, affecting preconditions required for other activities, outputs to be created, or requiring new inputs. This article introduces a concept of a scope of a change, whose identification facilitates focused efforts when adjusting the BPS system to changes in business processes. The article presents a taxonomy of modifications that can be made to a process model and characterizes different modification types in terms of possible scopes of the changes made. Copyright © 2005 John Wiley & Sons, Ltd.
A sociotechnical approach towards alignment
Authors: Taxén Lars 
Published: December 2005

AbstractIn order to manage the complexity of the alignment problem, we introduce the construct ofworkpracticesas the main unit of analysis. A workpractice is a meaningful, goal oriented social entity where some actors produce a result that other actors need. The development of products or services provided by an organization is accomplished by coordinating the results of cooperating workpractices. Alignment is achieved by either adjusting the coordination between workpractices or adjusting internal workpractice elements such as processes and support systems. To make this approach operational, we suggest structuring a workpractice according to the Activity Domain Theory—a new theory for coordinating human activity. In this theory, particular emphasis is placed on the achievement of common understanding among the actors. Some results from applying this approach in the Ericsson telecommunication company are discussed. The findings indicate that the proposed approach is a promising way towards achieving and maintaining alignment. Copyright © 2005 John Wiley & Sons, Ltd.