bluuebunny/crossref_metadata_2025_split huggingface dataset:
Sibutramine usage in New Zealand: an analysis of prescription data by the Intensive Medicines Monitoring Programme
Authors: Hill Geraldine R. , Ashton Janelle , Harrison‐Woolrych Mira 
Published: July 2007

AbstractPurposeTo describe patterns of sibutramine usage in New Zealand during the first 3 years of marketing using data acquired during post‐marketing safety surveillance.MethodsDemographic and prescription data were examined from a nationwide cohort of 17 298 patients prescribed sibutramine between 1 February 2001 and 31 March 2004. Outcome measures were age and sex distribution of the cohort; period prevalence of sibutramine usage for each ethnic group; duration of treatment and reasons for cessation of therapy. Limited BMI data were also examined.ResultsAbout 0.5% of the NZ population were prescribed sibutramine in the period studied. Overwhelmingly, the highest users of sibutramine were NZ European women aged 30–59 years. Maori and Pacific Peoples were under‐represented in the cohort, despite the higher prevalence of obesity among these populations. Sibutramine usage was predominantly short‐term: 59% of the cohort used sibutramine for 90 days or less, half of whom used it for only 1 month.ConclusionsThere has been extensive use of sibutramine in New Zealand. Sibutramine has been relatively under‐utilised by Maori and Pacific ethnic groups, compared to New Zealand Europeans, despite their higher prevalence of obesity. A number of factors may have contributed to the predominantly short‐term use of this medicine, including the cost of the medicine to the consumer, weight loss not meeting expectations and adverse effects of the medicine. Copyright © 2007 John Wiley & Sons, Ltd.
Protein homology detection and fold inference through multiple alignment entropy profiles
Authors: Sánchez‐Flores Alejandro , Pérez‐Rueda Ernesto , Segovia Lorenzo 
Published: August 2007

AbstractHomology detection and protein structure prediction are central themes in bioinformatics. Establishment of relationship between protein sequences or prediction of their structure by sequence comparison methods finds limitations when there is low sequence similarity. Recent works demonstrate that the use of profiles improves homology detection and protein structure prediction. Profiles can be inferred from protein multiple alignments using different approaches. The “Conservatism‐of‐Conservatism” is an effective profile analysis method to identify structural features between proteins having the same fold but no detectable sequence similarity. The information obtained from protein multiple alignments varies according to the amino acid classification employed to calculate the profile. In this work, we calculated entropy profiles from PSI‐BLAST‐derived multiple alignments and used different amino acid classifications summarizing almost 500 different attributes. These entropy profiles were converted into pseudocodes which were compared using the FASTA program with an ad‐hoc matrix. We tested the performance of our method to identify relationships between proteins with similar fold using a nonredundant subset of sequences having less than 40% of identity. We then compared our results using Coverage Versus Error per query curves, to those obtained by methods like PSI‐BLAST, COMPASS and HHSEARCH. Our method, named HIP (Homology Identification with Profiles) presented higher accuracy detecting relationships between proteins with the same fold. The use of different amino acid classifications reflecting a large number of amino acid attributes, improved the recognition of distantly related folds. We propose the use of pseudocodes representing profile information as a fast and powerful tool for homology detection, fold assignment and analysis of evolutionary information enclosed in protein profiles. Proteins 2008. © 2007 Wiley‐Liss, Inc.
Implicit flexibility in protein docking: Cross‐docking and local refinement
Authors: Król Marcin , Chaleil Raphael A. G. , Tournier Alexander L. , Bates Paul A. 
Published: August 2007

AbstractIn previous CAPRI rounds (3–5) we showed that using MD‐generated ensembles, as inputs for a rigid‐body docking algorithm, increased our success rate, especially for targets exhibiting substantial amounts of induced fit. In recent rounds (6–11), our cross‐docking was followed by a short MD‐based local refinement for the subset of solutions with the lowest interaction energies after minimization. The above approach showed promising results for target 20, where we were able to recover 30% of native contacts for one of our submitted models. Further tests, performed a posteriori, revealed that cross‐docking approach produces more near‐native (NN) solutions but only for targets with large conformational changes upon binding. However, at the time of the blind docking experiment, these improved solutions were not chosen for the subsequent refinement, as their interaction energies after minimization ranked poorly compared with other solutions. This indicates deficiencies in the present scoring schemes that are based on interaction energies of minimized structures. Refinement MD simulations substantially increase the fraction of native contacts for NN docked solutions, but generally worsen interface and ligand RMSD. Further analysis shows that although MD simulations are able to improve sidechain packing across the interface, which results in an increased fraction of native contacts, they are not capable of improving interface and ligand backbone RMSD for NN structures beyond 1.5 and 3.5 Å, respectively, even if explicit solvent is used. Proteins 2007. © 2007 Wiley‐Liss, Inc.
Acaricide resistance and synergism between permethrin and amitraz against susceptible and resistant strains of Boophilus microplus (Acari: Ixodidae)
Authors: Li Andrew Y , Chen Andrew C , Miller Robert J , Davey Ronald B , George John E 
Published: July 2007

AbstractThe control of the southern cattle tick, Boophilus microplus (Canestrini), in Mexico and many other countries relies on chemical acaricides. Boophilus microplus has developed resistance to all major classes of acaricides in recent years. To gain a better understanding of the resistance and to develop resistance management strategies that benefit both Mexican ranchers and USDA's cattle fever tick eradication program (CFTEP), the authors used larval bioassay techniques to determine levels of resistance to permethrin and amitraz and then evaluated synergism between these two acaricides in one susceptible laboratory tick strain and four resistant strains originating from Mexico and Brazil. To examine mechanisms of resistance to permethrin in these strains, the frequency of a mutated sodium channel gene was determined using a PCR assay. The tick strains from Mexico and Brazil demonstrated 49.4‐ to over 672.2‐fold resistance to permethrin, and up to 94.5‐fold resistance to amitraz. While the San Roman strain from Mexico was the most permethrin‐resistant strain, the Santa Luiza strain from Brazil was the most amitraz‐resistant strain. A significant correlation was found between the permethrin resistance ratio and the allelic frequency of the sodium channel mutation. Significant synergism between permethrin and amitraz was found when one acaricide was tested in the presence of another. Synergism ratios ranged from 1.5 to 54.9 when amitraz was tested as a synergist for permethrin. Similar synergism ratios were obtained when permethrin was tested as a synergist for amitraz. Permethrin caused virtually no mortality in the San Roman strain, even at the highest concentration (3294 µg cm−2). Adding amitraz (11.0 µg cm−2) to permethrin led to a dramatic increase in larval mortality, even at very low concentrations of permethrin. Copyright © 2007 Society of Chemical Industry
Molecular characterisation of resistance to ALS‐inhibiting herbicides in Hordeum leporinum biotypes
Authors: Yu Qin , Nelson Jared K , Zheng Ming Q , Jackson Michael , Powles Stephen B 
Published: July 2007

AbstractBACKGROUND: The acetolactate synthase (ALS)‐inhibiting herbicide sulfosulfuron is registered in Australia for the selective control of Hordeum leporinum Link. in wheat crops. This herbicide failed to control H. leporinum on two farms in Western Australia on its first use. This study aimed to determine the level of resistance of three H. leporinum biotypes, identify the biochemical and molecular basis and develop molecular markers for diagnostic analysis of the resistance.RESULTS: Dose–response studies revealed very high level (>340‐fold) resistance to the sulfonylurea herbicides sulfosulfuron and sulfometuron. In vitro ALS assays revealed that resistance was due to reduced sensitivity of the ALS enzyme to herbicide inhibition. This altered ALS sensitivity in the resistant biotypes was found to be due to a mutation in the ALS gene resulting in amino acid proline to serine substitution at position 197. In addition, two‐ to threefold higher ALS activities were consistently found in the resistant biotypes, compared with the known susceptible biotype. Two cleaved amplified polymorphic sequence (CAPS) markers were developed for diagnostic testing of the resistant populations.CONCLUSION: This study established the first documented case of evolved ALS inhibitor resistance in H. leporinum and revealed that the molecular basis of resistance is due to a Pro to Ser mutation in the ALS gene. Copyright © 2007 Society of Chemical Industry
Effect of snack eating on salivary α‐amylase, a novel stress marker
Authors: Toda Masahiro , Morimoto Kanehisa 
Published: July 2007

AbstractThe aim of this study is to investigate the effect of snack eating on salivary α‐amylase (sAA) as compared with salivary cortisol. From 15 healthy males, saliva samples were collected every 30min from 14:00 to 18:00. Immediately after the sampling at 15:00, seven subjects (snack‐eating group) ate a snack. The sAA and cortisol levels were determined with commercial kits. In the snack‐eating group, there was a significant increase in both the levels of sAA and cortisol after snack eating at 15:30. Even higher salivary cortisol levels were detected at 16:00. In the control group, no significant changes were detected. These findings suggest that both the levels of sAA and salivary cortisol are affected by snack eating and that, before saliva sampling for stress measurement, a fasting period of about 90min is appropriate. Copyright © 2007 John Wiley & Sons, Ltd.
Burnout and self‐employment: a cross‐cultural empirical study
Authors: Jamal Muhammad 
Published: July 2007

AbstractThis study examined the differences between full‐time self‐employed and organizationally employed individuals in Canada (n = 248) and Pakistan (n = 306) in terms of overall burnout and its three dimensions (emotional exhaustion, depersonalization and lack of accomplishment), turnover intentions and non‐work satisfaction. Data were collected by means of a structured questionnaire from Canadian employees in Montreal and Pakistani employees in Lahore. One‐way analysis of variance and multivariate analysis of variance were used to analyse the data. The self‐employed reported significantly higher overall burnout, emotional exhaustion, lack of accomplishment, non‐work satisfaction and turnover intention than the organizationally employed in both countries. No significant differences were found between self‐employed and organizationally employed in terms of depersonalization in both countries. Results are discussed in light of previous empirical evidence on self‐employment and the quality of work and non‐work life from cross‐cultural perspectives. Copyright © 2007 John Wiley & Sons, Ltd.
Investigation into factors that promote adherence to a mammography screening programme
Authors: Baldaro Bruno , Surcinelli Paola , Rossi Andrea , Fasol Rino , Mazzetti Michela , Bolzani Roberto 
Published: July 2007

AbstractThe aim of the present research was to investigate the importance of different factors in promoting women's adherence to mammography screening programmes. The research was conducted during a mammography screening programme of the Emilia‐Romagna region addressed to all women aged 50–69 years. The programme was designed to maximize women's participation by increasing their knowledge of the benefits of breast screening (invitation letter and information campaign) and by reducing barriers (e.g. free test). The research was conducted on a sample of 200 women who adhered to the programme, 65 of whom never had a mammogram in the past, and on a sample of 95 women who did not adhere to the programme, 42 of whom never had a mammogram and 53 of whom had mammograms privately. A semi‐structured interview on demographic variables (e.g. age and marital status), an evaluation of mastery and self‐esteem and an evaluation of the influence of the different information channels used during the information campaign were asked to participants. Significant differences among groups were found as regards to age, marital status and education and as regards to objective and subjective vulnerability to breast cancer. Among the information channels, the invitation letter undersigned by the family physician had the most influence. Copyright © 2007 John Wiley & Sons, Ltd.
Using multi dimensional scaling to analyse software engineers' de‐motivators for SPI
Authors: Baddoo Nathan , Hall Tracy , O'Keeffe Ciaran 
Published: July 2007

AbstractWe present analysis of factors that de‐motivate software practitioners from supporting software process improvement (SPI) initiatives, using a multidimensional scaling (MDS) technique. Our findings are based on an empirical study involving nearly 200 software practitioners from 13 UK companies. Our aim is to provide managers with a better understanding of the obstacles that prevent practitioners from supporting SPI. This insight should help SPI managers establish more effective SPI implementation strategies. In this article we re‐introduce the use of MDS techniques in SPI research. MDS is a social science data analysis technique designed to generate a rich visual understanding of human issues. By using MDS we found evidence to suggest distinct clusters of de‐motivators exist for different staff groups. Copyright © 2007 John Wiley & Sons, Ltd.
Using soft systems methodology for computer game design
Authors: Taylor M. J. , Baskett M. , Hughes G. D. , Wade S. J. 
Published: July 2007

AbstractIn this paper we examine how soft systems methodology (SSM) can benefit the initial identification and communication of new computer game concepts between those involved in its development. Computer games are a multi‐billion pound worldwide part of the entertainment industry. However, they are a relatively new type of software product and as such the manner in which they are designed and developed is still evolving. Computer games can be highly complex software systems that involve the expertise of a wide range of professionals ranging from programmers to animators, artists and musicians. When designing computer games, new game concepts can be difficult to communicate. In addition, the creative process could be benefited if game design ideas were capable of being shared widely and discussed. Copyright © 2007 John Wiley & Sons, Ltd.
Thinking systems need systems thinking
Authors: Waldman J. D. 
Published: July 2007

AbstractAfter describing machine and complex adaptive systems (CASs), we definethinking systemas a CAS with two additional, unique characteristics: (1) having goal(s) separate from survival, and (2) having the capability to structure its own learning and to innovate purposefully. Thinking systemsalwayslearn. Healthcare can be considered a paradigm of the thinking system and is repeatedly plagued with unintended, adverse outcomes, particularly fixes that fail. Systems thinking can dissolve such dysfunction in healthcare and by extension in any thinking system. Specific recommendations follow from this rationale. Copyright © 2007 John Wiley & Sons, Ltd.
Non‐metathesis reactions of ruthenium carbene catalysts and their application to the synthesis of nitrogen‐containing heterocycles
Authors: Arisawa Mitsuhiro , Terada Yukiyoshi , Takahashi Kazuyuki , Nakagawa Masako , Nishida Atsushi 
Published: July 2007

AbstractNon‐metathesis reactions of ruthenium carbene catalysts, such as olefin isomerization, hydrogenation, radical reaction, activation of silane, cyclopropanation, epimerization cocyclopropane, [3 + 2] cycloaddition, and cycloisomerization, are summarized. The utility of these reactions was demonstrated by the synthesis of indole using olefin isomerization and subsequent ring‐closing metathesis, the synthesis of indoline using cycloisomerization, and the synthesis of the putative structure of fistulosin using cycloisomerization as a key step. © 2007 The Japan Chemical Journal Forum and Wiley Periodicals, Inc. Chem Rec 7: 238–253; 2007: Published online in Wiley InterScience (www.interscience.wiley.com) DOI 10.1002/tcr.20121
High‐performance functional ecopolymers based on flora and fauna
Authors: Kaneko Tatsuo 
Published: July 2007

AbstractLiquid crystalline (LC) polymers of rigid monomers based on flora and fauna were prepared by in‐bulk polymerization. Para‐coumaric (p‐coumaric) acid [4‐hydroxycinnamic acid (4HCA)] and its derivatives were selected as phytomonomers and bile acids were selected as biomonomers. The 4HCA homopolymer showed a thermotropic LC phase only in a state of low molecular weight. The copolymers of 4HCA with bile acids such as lithocholic acid (LCA) and cholic acid (CA) showed excellent cell compatibilities but low molecular weights. However, P(4HCA‐co‐CA)s allowed LC spinning to create molecularly oriented biofibers, presumably due to the chain entanglement that occurs during in‐bulk chain propagation into hyperbranching architecture. P[4HCA‐co‐3,4‐dihydroxycinnamic acid (DHCA)]s showed high molecular weight, high mechanical strength, high Young's modulus, and high softening temperature, which may be achieved through the entanglement by in‐bulk formation of hyperbranching, rigid structures. P(4HCA‐co‐DHCA)s showed a smooth hydrolysis, in‐soil degradation, and photo‐tunable hydrolysis. Thus, P(4HCA‐co‐DHCA)s might be applied as an environmentally degradable plastic with extremely high performance. © 2007 The Japan Chemical Journal Forum and Wiley Periodicals, Inc. Chem Rec 7: 210–219; 2007: Published online in Wiley InterScience (www.interscience.wiley.com) DOI 10.1002/tcr.20122
Basic and applied features of multicopper oxidases, CueO, bilirubin oxidase, and laccase
Authors: Sakurai Takeshi , Kataoka Kunishige 
Published: July 2007

AbstractMulticopper oxidases (MCOs) such as CueO, bilirubin oxidase, and laccase contain four Cu centers, type 1 Cu, type II Cu, and a pair of type III Cu's in a protein molecule consisting of three domains with homologous structure to cupredoxin containing only type I Cu. Type I Cu mediates electron transfer between the substrate and the trinuclear Cu center formed by a type II Cu and a pair of type III Cu's, where the final electron acceptor O2 is converted to H2O without releasing activated oxygen species. During the process, O2 is reduced by MCOs such as lacquer laccase and bilirubin oxidase; the reaction intermediate II with a possible doubly OH−‐bridged structure in the trinuclear Cu center has been detected. The preceding reaction intermediate I has been detected by the reaction of the lacquer laccase in a mixed valence state, at which type I Cu was cuprous and the trinuclear Cu center was fully reduced, and by the reaction of the Cys → Ser mutant for the type I Cu site in bilirubin oxidase and CueO. An acidic amino acid residue located adjacent to the trinuclear Cu center was proved to function as a proton donor to these reaction intermediates. The substrate specificity of MCO for organic substrates is produced by the integrated effects of the shape of the substrate‐binding site and the specific interaction of the substrate with the amino acid located adjacent to the His residue coordinating to the type I Cu. In contrast, the substrate specificity of the cuprous oxidase, CueO, is produced by the segment covering the Cu(I)‐binding site so as to obstruct the access of organic substrates. Truncating the segment spanning helix 5 to helix 7 greatly reduced the specificity of CueO for Cu(I) and prominently enhanced the low oxidizing activity for the organic substrates, indicating the success of protein engineering to modify the substrate specificity of MCO. © 2007 The Japan Chemical Journal Forum and Wiley Periodicals, Inc. Chem Rec 7: 220–229; 2007: Published online in Wiley InterScience (www.interscience.wiley.com) DOI 10.1002/tcr.20125
Reactions of Alk‐1‐enylxenonium(II) and Alk‐1‐ynylxenonium(II) Salts [RXe]Y with Bromides and Iodides in Anhydrous HF
Authors: Frohn Hermann‐Josef , Bardin Vadim V. 
Published: July 2007

AbstractThe replacement of xenon(+) by iodine in reactions of alkenylxenonium(II) salts [RCF=CFXe]Y (R = cis‐C2F5, trans‐H) and alkynylxenonium(II) salt [C3F7C≡CXe][BF4] with NaI in anhydrous HF (aHF) occurred regiospecifically. At −60 °C the substitution of xenon(+) by bromine in the perfluorinated salts [cis‐CF3CF=CFXe]Y and [trans‐C4F9CF=CFXe]Y proceeded regio‐ and stereospecifically with NaBr in aHF, but at a higher temperature and after a longer time the treatment of [cis‐C2F5CF=CFXe]Y with NaBr, KBr, or [NBu4]Br in aHF gave mixtures of cisand trans‐perfluorobut‐1‐enyl bromides. The reaction of [C3F7C≡CXe][BF4] with NaBr in aHF at −65 °C gave only 48 %, of C3F7C≡CBr and was accompanied by a mixture of bromine‐containing related olefins. Reaction pathways to the main product are discussed.
Preparation and Structure of [Me3N(CF3)2BCCB(CF3)2NMe3]
Authors: Brauer David J. , Pawelke Gottfried 
Published: July 2007

AbstractBis‐trimethylamine‐ethynyl‐di‐bis(trifluoromethyl)borane [Me3N(CF3)2BCCB(CF3)2NMe3] (1) has been prepared from trimethylamine‐ethynyl‐bis(trifluoromethyl)borane, [HCCB(CF3)2NMe3], and dimethylamino‐bis(trifluoromethyl)borane, (CF3)2BNMe2. The structure of 1 has been determined by x‐ray crystallography. In the solid state the molecule possesses crystallographic Ci symmetry. The acetylenic attachment to the boron atom is characterized by a short B–C bond length of 1.565(4) Å and an essentially linear B–C–C′ bond angle of 178.1(4)°.
Tellurium(IV) Fluorides and Azides containing the Nitrogen Donor Substituent R = 2‐Me2NCH2C6H4; Crystal Structure of RTeF3 and of an Unusual Tellurium(VI) Fluoride Salt
Authors: Hammerl Anton , Klapötke Thomas M. , Krumm Burkhard , Scherr Matthias 
Published: July 2007

AbstractThe tellurenyl fluoride, 2‐Me2NCH2C6H4TeF, was obtained from reaction of the tellurenyl iodide RTeI with AgF. The compound was unambiguously identified by 19F and 125Te NMR spectroscopy. The decomposition under disproportionation leads to the tellurium(IV) trifluoride, 2‐Me2NCH2C6H4TeF3 and the ditelluride RTeTeR. The fluorination of the ditelluride, (2‐Me2NCH2C6H4Te)2, with XeF2 results in pure RTeF3. The molecular structure of 2‐Me2NCH2C6H4TeF3, the second structural characterized tellurium(IV) trifluoride, has been determined. Furthermore the syntheses of the new tellurium(IV) difluoride, (2‐Me2NCH2C6H4)2TeF2, and corresponding tellurium(IV) diazide, (2‐Me2NCH2C6H4)2Te(N3)2 as well as the tellurium(IV) triazide, 2‐Me2NCH2C6H4Te(N3)3, and their characterization by spectroscopic methods were reported. During these investigations a rather interesting tellurium(VI) species was formed and the molecular structure of a subsequent product, [(2‐Me2NHCH2C6H4)2TeF3O]2(SiF6), was elucidated. Theoretical investigations for the compounds containing the stabilizing 2‐dimethylaminomethylphenyl substituent are illustrated.