bluuebunny/crossref_metadata_2025_split huggingface dataset:
Environmental management systems and green supply chain management: complements for sustainability?
Authors: Darnall Nicole , Jolley G. Jason , Handfield Robert 
Published: October 2006

AbstractSome researchers question the legitimacy of EMSs since organizations can claim to have one when in fact they make no attempt to reduce their environmental harm. In instances where EMSs enhance an organization's environmental performance, critics argue that improvements are likely to occur within the organization's operational boundaries rather than being extended throughout the supply chain. However, previous research suggests that the organizational capabilities required to adopt an EMS may facilitate GSCM implementation and the institutional pressures to adopt both management practices are similar. Consequently, EMS adopters may have a greater propensity to expand their focus beyond their organizational boundaries and utilize GSCM practices to minimize system‐wide environmental impacts. This research illuminates the debate by empirically evaluating the relationship between EMS and GSCM practices. Copyright © 2006 John Wiley & Sons, Ltd and ERP Environment.
Reframing applied disease stigma research: a multilevel analysis of diabetes stigma in Ghana
Authors: Aikins Ama de‐Graft 
Published: October 2006

AbstractResearch suggests that rural and urban Ghanaians living with uncontrolled diabetes—typified by extreme weight loss—experience HIV/AIDS‐related stigma. This paper reports a multilevel analysis of this stigma within the broader context of diabetes handicap in two rural communities. Two key findings emerge. First, the content of stigma constitutes social representations of HIV/AIDS, and to internalized and projected collective attributions of protracted illness to witchcraft or sorcery. Thus the stigma experienced by people with uncontrolled diabetes is not specific to the disease category ‘diabetes’ and distant others affected by it. Second, extreme biophysical disruption, which precipitates misperceptions, stigma and/or discrimination, is both cause and consequence of financial destitution and psychosocial neglect. Both forms of handicap have deeper pre‐stigma roots in poverty and the socio‐psychological and cultural impact of long‐term illness. Thus the actuality or threat of diabetes stigma has to be understood in terms of diabetes handicap, which in turn has to be understood as a product of shared responses to long‐term illness in communities constantly negotiating financial, health and psychological insecurities. The scope for multifaceted/multilevel intervention is considered taking into account the biophysical and psychological impact of illness and the socio‐psychological and structural realities of diabetes care in Ghana. Copyright © 2006 John Wiley & Sons, Ltd.
Antiherpetic Flavones from the Heartwood of Artocarpus gomezianus
Authors: Likhitwitayawuid Kittisak , Chaiwiriya Saowalak , Sritularak Boonchoo , Lipipun Vimolmas 
Published: October 2006

AbstractThe heartwood of Artocarpus gomezianus was investigated for anti‐herpetic principles. During the course of the separation, a new compound, artogomezianone (1), was isolated, along with the known compounds cycloartocarpin (2), isocyclomorusin (3), artocarpin (4), norcycloartocarpin (5), norartocarpetin (6), and oxyresveratrol (7). Evaluation of these isolates for inhibitory effects against herpes simplex virus (HSV) types 1 and 2 was carried out using the inactivation method. Compounds 2, 3, 6 and 7 showed moderate activities against both types of HSV, while 1, 4 and 5 were basically inactive (Table 2).
Electrochemical Reduction of G3‐Factor Endoperoxide and Its Methyl Ether: Evidence for a Competition between Concerted and Stepwise Dissociative Electron Transfer
Authors: Najjar Fadia , André‐Barrès Christiane , Baltas Michel , Lacaze‐Dufaure Corinne , Magri David C. , Workentin Mark S. , Tzédakis Théodore 
Published: October 2006

AbstractThe reduction of the bicyclic G‐factor endoperoxides G3 and G3Me was studied in N,N‐dimethylformamide using cyclic voltammetry and convolution analysis. Electron transfer leads to irreversible cleavage of the OO bond. Detailed analysis of the voltammetry curves reveals a non‐linear dependence on the transfer coefficient indicating a mechanistic transition from a stepwise mechanism to one with more concerted character with increasing potential. By using quantum calculations to estimate the OO bond dissociation energies, the experimental data was used to evaluate the standard reduction potentials and other pertinent thermochemical information.
Chiral Fluorous Dialkoxy‐Diamino Zirconium Complexes: Synthesis and Use in Stereospecific Polymerization of 1‐Hexene
Authors: Kirillov Evgueni , Lavanant Laurent , Thomas Christophe , Roisnel Thierry , Chi Yun , Carpentier Jean‐François 
Published: October 2006

AbstractNew catalysts for the isospecific polymerization of 1‐hexene based on cationic zirconium complexes incorporating the tetradentate fluorous dialkoxy‐diamino ligands [OC(CF3)2CH2N(Me)(CH2)2N(Me)CH2C(CF3)2O]2− [(ON2NO)2−] and [OC(CF3)2CH2N(Me)(1R,2R‐C6H10)N(Me)CH2C(CF3)2O]2− [(ONCyNO)2−] have been developed. The chiral fluorous diamino‐diol [(ONCyNO)H2, 2] was prepared by ring‐opening of the fluorinated oxirane (CF3)2COCH2 with (R,R)‐N,N′‐dimethyl‐1,2‐cyclohexanediamine. Proligand 2 reacts cleanly with [Zr(CH2Ph)4] and [Ti(OiPr)4] precursors to give the corresponding dialkoxy complexes [Zr(CH2Ph)2(ONCyNO)] (3) and [Ti(OiPr)2(ONCyNO)] (4), respectively. An X‐ray diffraction study revealed that 3 crystallizes as a 1:1 mixture of two diastereomers (Λ‐3 and Δ‐3), both of which adopt a distorted octahedral structure with trans‐O, cis‐N, and cis‐CH2Ph ligands. The two diastereomers Λ‐3 and Δ‐3 adopt a C2‐symmetric structure in toluene solution, as established by NMR spectroscopy. Cationic complexes [Zr(CH2Ph)(ON2NO)(THF)n]+ (n=0, anion=[B(C6F5)4]−, 5; n=1, anion=[PhCH2B(C6F5)3]−, 6) and [Zr(CH2Ph)(ONCyNO)(THF)]+[PhCH2B(C6F5)3]− (7) were generated from the neutral parent precursors [Zr(CH2Ph)2(ON2NO)] (H) and [Zr(CH2Ph)2(ONCyNO)] (3), and their possible structures were determined on the basis of 1H, 19F, and 13C NMR spectroscopy and DFT methods. The neutral zirconium complexes H and 3 (Λ‐3/Δ‐3 mixture), when activated with B(C6F5)3 or [Ph3C]+[B(C6F5)4]−, catalyze the polymerization of 1‐hexene with overall activities of up to 4500 kg PH mol Zr−1 h−1, to yield isotactic‐enriched (up to 74 % mmmm) polymers with low‐to‐moderate molecular weights (Mw=4800–47 200) and monodisperse molecular‐weight distributions (Mw/Mn=1.17–1.79).
The Importance of the Active Site Histidine for the Activity of Epoxide‐ or Aziridine‐Based Inhibitors of Cysteine Proteases
Authors: Mladenovic Milena , Schirmeister Tanja , Thiel Stefan , Thiel Walter , Engels Bernd 
Published: October 2006

AbstractIn the present study the importance of the active site histidine residue (His) for the activity of epoxide‐ or aziridine‐based cysteine protease inhibitors is examined theoretically. To account for all important effects, QM/MM hybrid approaches are employed which combine quantum mechanical (QM) methods that are necessary to describe bond‐breaking and formation processes, with molecular mechanics (MM) methods that incorporate the influence of the protein environment. Using various model systems, the computations exclude a direct proton shift from the active site His residue to the inhibitor, but show that one water molecule is sufficient to establish a very efficient relay system. This relay system allows an easy proton transfer from the active site His residue to the inhibitor and is thus essential for the activity of both types of inhibitors. Differences between the epoxides and the aziridines are discussed, along with some implications for the rational design of optimized inhibitors. The work presented herein represents the first QM/MM study into the mode of action of these important inhibitor classes.
FDG‐PET after 1 cycle of therapy predicts outcome in diffuse large cell lymphoma and classic Hodgkin disease
Authors: Kostakoglu Lale , Goldsmith Stanley J. , Leonard John P. , Christos Paul , Furman Richard R. , Atasever Tamer , Chandramouly Angely , Verma Sumeet , Kothari Pratichi , Coleman Morton 
Published: October 2006

AbstractBACKGROUND.Early prediction of response to therapy may offer the potential to identify patients who will benefit from standard conventional therapy. The objective of this study was to determine the predictive value of FDG‐PET as an early response indicator after 1 cycle of chemotherapy for progression‐free survival (PFS) in diffuse large cell lymphoma (DLCL) and classic Hodgkin disease (HD).METHODS.FDG‐PET was performed before, after 1 cycle, and after completion of chemotherapy in 47 patients. The patients were followed with a median follow‐up of 21 months (range, 3–47 months). PFS was compared between PET‐positive and PET‐negative patients after 1 cycle and after completion of therapy.RESULTS.All PET‐negative patients after 1 cycle (n = 31) had sustained complete remission with a median follow‐up of 28 months. Fourteen of 16 PET‐positive patients after 1 cycle had refractory disease or relapsed (median PFS, 5.5 months). There were 2 false‐positive results, 1 with an active infection at the biopsy site and the other in a patient who had been in remission after radiation therapy. There was good agreement between the results obtained after 1 cycle and at completion of therapy (kappa, 0.80); however, the negative predictive value was higher for FDG‐PET after 1 cycle than after completion of chemotherapy (100% vs 91.4%), although not statistically different (P = .40).CONCLUSIONS.FDG‐PET had a high prognostic value after 1 cycle of chemotherapy, thus it can be a valid alternative for posttreatment evaluation of DLCL and HD and may offer the potential for change in treatment paradigms. Cancer 2006. © 2006 American Cancer Society.
Radiosurgery for the treatment of spinal lung metastases
Authors: Gerszten Peter C. , Burton Steven A. , Belani Chandra P. , Ramalingam Suresh , Friedland David M. , Ozhasoglu Cihat , Quinn Annette E. , McCue Kevin J. , Welch William C. 
Published: October 2006

AbstractBACKGROUND.Spinal metastases are a common source of pain as well as neurologic deficit in patients with lung cancer. Metastases from lung cancer traditionally have been believed to be relatively responsive to radiation therapy. However, conventional external beam radiotherapy lacks the precision to allow delivery of large single‐fraction doses of radiation and simultaneously limit the dose to radiosensitive structures such as the spinal cord. The current study evaluated the efficacy of single‐fraction radiosurgery for the treatment of spinal lung cancer metastases.METHODS.In the current prospective cohort evaluation, 87 lung cancer metastases to the spine in 77 patients were treated with a single‐fraction radiosurgery technique with a follow‐up period of 6 to 40 months (median, 12 months). The indication for radiosurgery treatment was pain in 73 cases, as a primary treatment modality in 7 cases, for radiographic tumor progression in 4 cases, and for progressive neurologic deficit in 3 cases.RESULTS.Tumor volume ranged from 0.2 to 264 cm3 (mean, 25.7 cm3). The maximum tumor dose was maintained at 15 to 25 grays (Gy) (mean, 20 Gy; median, 20 Gy). No radiation‐induced toxicity occurred during the follow‐up period. Long‐term axial and radicular pain improvement occurred in 65 of 73 patients (89%) who were treated primarily for pain. Long‐term radiographic tumor control was observed in all patients who underwent radiosurgery as their primary treatment modality or for radiographic tumor progression.CONCLUSIONS.Spinal radiosurgery was found to be feasible, safe, and clinically effective for the treatment of spinal metastases from lung cancer. The results of the current study indicate the potential of radiosurgery in the treatment of patients with spinal lung metastases, especially those with solitary sites of spine involvement, to improve long‐term palliation. Cancer 2006. © 2006 American Cancer Society.
Parameter identification of framed structures using an improved finite element model‐updating method—Part I: formulation and verification
Authors: Yu Eunjong , Taciroglu Ertugrul , Wallace John W. 
Published: October 2006

AbstractIn this study, we formulate an improved finite element model‐updating method to address the numerical difficulties associated with ill conditioning and rank deficiency. These complications are frequently encountered model‐updating problems, and occur when the identification of a larger number of physical parameters is attempted than that warranted by the information content of the experimental data. Based on the standard bounded variables least‐squares (BVLS) method, which incorporates the usual upper/lower‐bound constraints, the proposed method (henceforth referred to as BVLSrc) is equipped with novel sensitivity‐based relative constraints. The relative constraints are automatically constructed using the correlation coefficients between the sensitivity vectors of updating parameters. The veracity and effectiveness of BVLSrc is investigated through the simulated, yet realistic, forced‐vibration testing of a simple framed structure using its frequency response function as input data. By comparing the results of BVLSrc with those obtained via (the competing) pure BVLS and regularization methods, we show that BVLSrc and regularization methods yield approximate solutions with similar and sufficiently high accuracy, while pure BVLS method yields physically inadmissible solutions. We further demonstrate that BVLSrc is computationally more efficient, because, unlike regularization methods, it does not require the laborious a priori calculations to determine an optimal penalty parameter, and its results are far less sensitive to the initial estimates of the updating parameters. Copyright © 2006 John Wiley & Sons, Ltd.
Cyclic tests on steel and concrete‐filled tube frames with Slit Walls
Authors: Hitaka Toko , Matsui Chiaki , Sakai Jun'ichi 
Published: October 2006

AbstractCyclic loading tests were performed on three one‐storey steel frames and four three‐storey concrete‐filled tube (CFT) moment frames reinforced with a new type of earthquake‐resisting element consisting of a steel plate shear wall with vertical slits. In this shear wall system, the steel plate segments between the slits behave as a series of flexural links, which provide fairly ductile response without the need for heavy stiffening of the wall. The steel shear walls and the moment frames behaved in a ductile manner up to more than 4% drift without abrupt strength degradation or loss of axial resistance. Results of these tests and complementary analysis provide a basis for an equivalent brace model to be employed in commercially available frame analysis programs. Test and analytical results suggest that the horizontal force is carried by the bolts in the middle portion of the wall–frame connection, while the vertical forces coupled with the moment in the connection are resisted by the bolts in the edge portion of the connection, for which the friction bolts in the connection should be designed. When sufficient transverse stiffening is provided, full plastic strength and non‐degrading hysteretic behaviour can be achieved for this new type of shear wall. Copyright © 2006 John Wiley & Sons, Ltd.
Neandertals and moderns mixed, and it matters
Authors: Zilhão João 
Published: October 2006

AbstractTwenty‐five years ago, the Middle‐to‐Upper Paleolithic transition in Europe could be represented as a straightforward process subsuming both the emergence of symbolic behavior and the replacement of Neandertals by modern humans. The Aurignacian was a proxy for the latter, during which enhanced cognitive capabilities explained ornaments and art. The few instances of Neandertal symbolism were deemed to long postdate contact and dismissed as “imitation without understanding,” if not geological contamination. Such views were strengthened by the recent finding that, in southern Africa, several features of the European Upper Paleolithic, including bone tools, ornaments, and microliths, emerged much earlier. Coupled with genetic suggestions of a recent African origin for extant humans, fossil discoveries bridging the transition between “archaics” and “moderns” in the realm of anatomy (Omo‐Kibish, Herto) seemingly closed the case. Over the last decade, however, taphonomic critiques of the archeology of the transition have made it clear that, in Europe, fully symbolic sapiens behavior predates both the Aurignacian and moderns. And, in line with evidence from the nuclear genome rejecting strict replacement models based on mtDNA alone, the small number of early modern specimens that passed the test of direct dating present archaic features unknown in the African lineage, suggesting admixture at the time of contact.In the realm of culture, the archeological evidence also supports a Neandertal contribution to Europe's earliest modern human societies, which feature personal ornaments completely unknown before immigration and are characteristic of such Neandertal‐associated archeological entities as the Châtelperronian and the Uluzzian. The chronometric data suggest that, north of the Ebro divide, the entire interaction process may have been resolved within the millennium centered around 42,000 calendar years ago. Such a rapid absorption of the Neandertals is consistent with the size imbalance between the two gene reservoirs and further supports significant levels of admixture.
Improvement of mass source/sink for an immersed boundary method
Authors: Huang Wei‐Xi , Sung Hyung Jin 
Published: October 2006

AbstractAn improved immersed boundary method using a mass source/sink as well as momentum forcing is developed for simulating flows over or inside complex geometries. The present method is based on the Navier–Stokes solver adopting the fractional step method and a staggered Cartesian grid system. A more accurate formulation of the mass source/sink is derived by considering mass conservation of the virtual cells in the fluid crossed by the immersed boundary. Two flow problems (the decaying vortex problem and uniform flow past a circular cylinder) are used to validate the proposed formulation. The results indicate that the accuracy near the immersed boundary is improved by introducing the accurate mass source/sink. Copyright © 2006 John Wiley & Sons, Ltd.
A numerical method for flows in porous and homogenous fluid domains coupled at the interface by stress jump
Authors: Yu P. , Lee T. S. , Zeng Y. , Low H. T. 
Published: October 2006

AbstractA numerical method was developed for flows involving an interface between a homogenous fluid and a porous medium. The numerical method is based on the finite volume method with body‐fitted and multi‐block grids. A generalized model, which includes Brinkman term, Forcheimmer term and non‐linear convective term, was used to govern the flow in the porous medium region. At its interface, a shear stress jump that includes the inertial effect was imposed, together with a continuity of normal stress. Furthermore, the effect of the jump condition on the diffusive flux was considered, additional to that on the convective part which has been usually considered. Numerical results of three flow configurations are presented. The method is suitable for coupled problems with regions of homogeneous fluid and porous medium, which have complex geometries. Copyright © 2006 John Wiley & Sons, Ltd.
Hanns Fischer: Radical Pioneer
Authors: Beckwith Athelstan L. J. , Ingold Keith U. 
Published: October 2006

AbstractFor four decades, Hanns Fischer played a major and highly innovative role in the development of free radical chemistry. The present article describes the science in several of Fischer's papers. These papers were chosen for analysis because they nicely illustrate Fischer's originality, passion for exactitude, and impact on chemistry, and because they are well‐read favorites of the present authors.
Intramolecular Hydrogen Bonding: The Case of β‐Phosphorylated Nitroxide (= Aminoxyl) Radical
Authors: Acerbis Sébastien , Bertin Denis , Boutevin Bernard , Gigmes Didier , Lacroix‐Desmazes Patrick , Le Mercier Christophe , Lutz Jean‐François , Marque Sylvain R. A. , Siri Didier , Tordo Paul 
Published: October 2006

AbstractAlkoxyamines and persistent nitroxide (= aminoxyl) radicals are important regulators of nitroxide‐mediated radical polymerization. Since polymerization times decrease with the increasing homolysis rate constant of the CON bond homolysis between the polymer chain and the aminooxy moiety, the factors influencing the cleavage rate constant are of considerable interest. It has already been shown that the value of the homolysis rate constant kd is very sensitive to the stabilization of both released radical species. X‐Ray, EPR, and kinetic data showed that the intramolecular H‐bonding radical in the 1‐(diethoxyphosphoryl)‐2,2‐dimethylpropyl 2‐hydroxy‐1,1‐dimethylethyl nitroxide (3a) (homologue of 2‐hydroxy‐1,1‐dimethylethyl 1‐phenyl‐2‐methylpropyl nitroxide (2a)) did not occur with the nitroxide moiety as expected but with the phosphoryl group. However, the polymerization rate of styrene (= ethenylbenzene) was significantly enhanced.
15N Chemically Induced Dynamic Nuclear Polarization (15N‐CIDNP) Investigations of the Peroxynitrite Decay and Nitration of N‐Acetyl‐L‐tyrosine
Authors: Lehnig Manfred , Kirsch Michael 
Published: October 2006

AbstractDuring the decay of (15N)peroxynitrite (O15NOO−) in the presence of N‐acetyl‐L‐tyrosine (Tyrac) in neutral solution and at 268 K, the 15N‐NMR signals of 15NO$\rm{_2^ - }$ and 15NO$\rm{_3^ - }$ show emission (E) and enhanced absorption (A) as it has already been observed by Butler and co‐workers in the presence of L‐tyrosine (Tyr). The effects are built up in radical pairs [CO$\rm{_3^{\bullet - } }$, 15NO$\rm{_2^\bullet }$]S formed by OO bond scission of the (15N)peroxynitriteCO2 adduct (O15NOOCO$\rm{_2^ - }$). In the absence of Tyrac and Tyr, the peroxynitrite decay rate is enhanced, and 15N‐CIDNP does not occur. This is explained by a chain reaction during the peroxynitrite decay involving N2O3 and radicals NO. and NO$\rm{_2^\bullet }$. The interpretation is supported by 15N‐CIDNP observed with (15N)peroxynitrite generated in situ during reaction of H2O2 with N‐acetyl‐N‐(15N)nitroso‐dl‐tryptophan ((15N)NANT) at 298 K and pH 7.5. In the presence of Na15NO2 at pH 7.5 and in acidic solution, 15N‐CIDNP appears in the nitration products of Tyrac, 1‐(15N)nitro‐N‐acetyl‐L‐tyrosine (1‐15NO2‐Tyrac) and 3‐(15N)nitro‐N‐acetyl‐L‐tyrosine (3‐15NO2‐Tyrac). The effects are built up in radical pairs [Tyrac., 15NO$\rm{_2^\bullet }$]F formed by encounters of independently generated radicals Tyrac. and 15NO$\rm{_2^\bullet }$. Quantitative 15N‐CIDNP studies show that nitrogen dioxide dependent reactions are the main if not the only pathways for yielding both nitrate and nitrated products.