bluuebunny/crossref_metadata_2025 huggingface dataset:
Kidney failure in Townes–Brocks syndrome: An under recognized phenomenon?
Authors: Reardon William , Casserly Liam F. , Birkenhäger Ralf , Kohlhase Jürgen
Published: October 2007

Though uncommon, kidney malformations are described in several cases of Townes–Brocks syndrome. By contrast, kidney failure has been reported as the presenting feature of Townes–Brocks syndrome on only one occasion. While theSALL1gene, mutations of which result in the Townes–Brocks phenotype, is expressed in the developing kidney, the absence of other corroborative reports of kidney failure presenting in affected individuals suggests that the solitary observation of kidney failure is as likely due to chance as to causal association. In now reporting a further instance of this association, we review the literature, demonstrating that several other instances of kidney failure are in fact known, despite an incomplete dataset. These findings suggest that kidney failure may be a constituent element of the natural history of Townes–Brocks syndrome and raise the possible benefits of longitudinal survey for progressive kidney impairment in patients with this syndrome. © 2007 Wiley‐Liss, Inc.
A novel missense mutation in the paired domain of human PAX9 causes oligodontia
Authors: Zhao Jilin , Hu Qingang , Chen Yangxi , Luo Songjiao , Bao Lang , Xu Yue
Published: October 2007

PAX9 and MSX1 are transcription factors that play essential roles in craniofacial and limb development. In humans, mutations in both genes are associated with nonsyndromic and syndromic oligodontia, respectively. We screened one family with nonsyndromic oligodontia for mutations in PAX9 and MSX1. Single stranded conformational polymorphism (SSCP) analysis and sequencing revealed a novel heterozygous C139T transition in PAX9 in the affected members of the family. There were no mutations detected in the entire coding sequence of MSX1. The C139T mutation, predicted to result in the substitution of an arginine by a tryptophan (R47W) in the N‐terminal subdomain, affected conserved residues in the PAX9 paired domain. To elucidate the pathogenic mechanism producing oligodontia phenotype caused by this mutation, we analyzed the binding of wild‐type and mutant PAX9 paired domain protein to double‐stranded DNA targets. The R47W mutation dramatically reduced DNA binding suggesting that the mutant protein with consequent haploinsufficiency results in a clinical phenotype. © 2007 Wiley‐Liss, Inc.
Effect of fractional free volume and Tg on gas separation through membranes made with different glassy polymers
Authors: Recio Roberto , Lozano Ángel E. , Prádanos Pedro , Marcos Ángel , Tejerina Fernando , Hernández Antonio
Published: October 2007

The aim of this work is to study how the characteristics of the polymer used to manufacture gas separation membranes influence its permeability and selectivity. It has been shown that the gas diffusivity decreases with the kinetic diameter of the gas except for CO2, probably due to its high condensability. While solubility increases with the gas condensation temperature and clearly with the glass transition temperature of the polymer for each gas. The permeabilities of CO2, CH4, O2, N2 increase for increasing glass transition temperatures. Nevertheless only the selectivity of CO2 versus the other gases increases significantly when polymers with high glass transition are used. The Robeson limit in a selectivity‐versus‐permeability plot is approached for CO2/CH4 when Tg increases. This distance to the Robeson limit, for this pair of gases, results to decrease for increasing Tg. For the case of the O2/N2 selectivity remains approximately constant with an appreciable increase in permeability for polymers with increasing Tg. Permeability increases due to the corresponding increase in fractional free volume, FFV, that appears for increasing glass transition temperatures, Tg. This correlation of FFV with Tg has been confirmed by obtaining FFV by different methods. © 2007 Wiley Periodicals, Inc. J Appl Polym Sci 2008
Characterization of chitosan/caseinate films
Authors: Pereda Mariana , Aranguren Mirta I. , Marcovich Norma E.
Published: October 2007

Films made from sodium caseinate and/or chitosan, using glycerol as plasticizer, were prepared by casting from aqueous solutions. Films cryo‐fractured surfaces were examined by SEM. FTIR spectra of the chitosan/caseinate films showed an increase in the intensity of the amide band, corresponding to the strong interactions developed by the polyelectrolytic complexation of both components. Addition of 28 wt% of glycerol to caseinate films, conditioned at 50% relative humidity (RH), reduced the modulus from 2908 to 250.9 MPa, while the ultimate elongation increased from 4 to 63.2%. Increment to 80% RH further reduced the modulus down to 52.8 MPa. Similar results were found for the glycerol plasticization of chitosan films. The complex films showed a moderate improvement of the tensile strength (19.6 MPa) and an increase of the impact strength (35.6 GPa) with respect to those corresponding of chitosan films (17 MPa and 26.6 GPa, respectively). These properties were markedly improved with respect to those of caseinate (6.2 MPa and 13.4 GPa, respectively). The interactions developed between the cationic polymer chitosan, and the Na‐caseinate carboxyl groups, lead to polyelectrolyte complexation in forming the film, which is proposed as the reason for improvement with respect to caseinate or chitosan films. © 2007 Wiley Periodicals, Inc. J Appl Polym Sci, 2008
Preparation and crystalline analysis of high‐grade bamboo dissolving pulp for cellulose acetate
Authors: He Jianxin , Cui Shizhong , Wang Shan‐yuan
Published: October 2007

High grade bamboo dissolving pulp for cellulose acetate (named as acetate bamboo pulp) was prepared from bamboo Cizhu (Dendrocalamus affinnis) by oxygen‐alkali pulping, xylanase and DMD (an intermediate product of the reaction of oxone with acetone) delignification treatments, and H2O2 bleaching. Its properties and structures were investigated by different analytical techniques, and compared with those of high grade hardwood dissolving pulp for cellulose acetate (named as acetate wood pulp), viscose bamboo pulp, and bamboo fiber for textile. Most of its properties are comparable with those of acetate wood pulp except ash contents and DCM (dichloromethane) extractive that are slightly high. Crystallinities and crystalline allomorphs of acetate bamboo pulp and the three samples were determined by FTIR spectroscopy, X‐ray diffraction and solid state 13C NMR spectroscopy, and the results obtained by the three methods were coincident. Bamboo cellulose crystalline allomorphs are classified as Iβ‐dominant type, and a higher lateral order index and a larger crystallite size for acetate bamboo pulp were found in spite of its crystallinity similar to acetate wood pulp. Different intermolecular hydrogen bond patterns are likely be responsible for the predominant crystalline fibrils in acetate bamboo pulp. © 2007 Wiley Periodicals, Inc. J Appl Polym Sci 2008
Design, synthesis, and metal binding of novelPseudo‐oligopeptides containing two phosphinic acid groups
Authors: Ye Yunpeng , Liu Min , Kao Jeff L.‐F. , Marshall Garland R.
Published: October 2007

Phosphinic compounds have potential as amide‐bond mimetics in the development of novel peptidomimetics, enzyme inhibitors, and metal‐binding ligands. Novelpseudo‐oligopeptides with two phosphinic acid groups embedded in the peptide backbone serving as amide‐bond surrogates, Ψ[P(O,OH)CH2], were targeted. A series of linear and cyclicpseudo‐oligopeptides with two phosphinic acid groups arrayed at different positions in the peptide sequence were designed, including AcPhe{(R,S)AlaΨ[P(O,OH)CH2]Gly}2NH2(P2), AcNH(R,S)AlaΨ[P(O,OH)CH2]GlyPhe(R,S)AlaΨ[P(O,OH)CH2]GlyNH2(P3), AcNH(R,S)AlaΨ[P(O,OH)CH2]GlyPhePhe(R,S) AlaΨ[P(O,OH)CH2]GlyNH2(P4), cyclo{NH(R,S)AlaΨ[P(O,OH)CH2]GlyPhe}2(P5), and cyclo[NH(R,S)AlaΨ[P(O,OH)CH2]GlyPhePhe]2(P6). They were synthesized via conventional Fmoc chemistry on solid support utilizing Fmoc‐protected phosphinic acid‐containingpseudo‐dipeptide fragment, i.e. Fmoc(R,S)AlaΨ[P(O,OCH3)CH2]GlyOH. Thepseudo‐peptides containing two phosphinic acid groups exhibited the highest binding affinity and selectivity for Fe(III) among the 10‐metal ions screened by ESI‐MS analysis––Cu(II), Zn(II), Co(II), Ni(II), Mn(II), Fe(II), Fe(III), Al(III), Ga(III), and Gd(III). P4 and P6 with 11‐atom linkages between the two phosphinic acids preferred intramolecular metal binding to form 1:1 ligand/metal complexes. As revealed by competition experiments, P4 showed the highest relative binding affinity among the six compounds tested. Noteworthy, P4 also showed higher relative binding affinity than similar dihydroxamate‐containingpseudo‐peptides reported previously. The novel structural prototype and facile synthesis along with selective and potent Fe(III) binding strongly suggest thatpseudo‐peptides containing the two or more phosphinic groups as amide‐bond surrogates deserve further exploration in medicinal chemistry. © 2007 Wiley Periodicals, Inc. Biopolymers 89: 72–85, 2008.

This article was originally published online as an accepted preprint. The “Published Online” date corresponds to the preprint version. You can request a copy of the preprint by emailing the Biopolymers editorial office at biopolymers@wiley.com
Domestic violence: a priority in child protection in New South Wales, Australia?
Authors: Irwin Jude , Waugh Fran
Published: October 2007

Over the last several years there has been increasing awareness of the connection between domestic violence and child abuse, yet only minimal attention has been paid to the implications of this for child protection practice. This article begins to address this gap. Drawing on research undertaken in New South Wales (NSW), Australia, it examines child protection practice in relation to children and young people who have been exposed to domestic violence. The research involved analysis of the responses of the statutory child protection authority in NSW (the Department of Community Services or DoCS) to abuse allegations involving domestic violence. The data are drawn from observation and analysis of the initial responses to referrals to DoCS and the ‘tracking’ of a sample of these referrals over an 18 month period. From the data obtained, it is evident that domestic violence referrals are treated less seriously than other referrals, with more being confirmed as abuse but fewer resulting in follow up or intervention. The implications of this for child protection practice are teased out. Copyright © 2007 John Wiley & Sons, Ltd.
Supramolecular Helical Columns from the Self‐Assembly of Chiral Rods
Authors: Ryu Ja‐Hyoung , Tang Lijun , Lee Eunji , Kim Ho‐Joong , Lee Myongsoo
Published: October 2007

Chiral‐bridged rod molecules (CBRs) that consisted of bis(penta‐p‐phenylene) conjugated to an opened or closed chiral bridging group as a rigid segment and oligoether dendrons as flexible segments were synthesized and characterized. In the bulk state, both molecules self‐assemble into a hexagonal columnar structure, as confirmed by X‐ray scatterings and transmission electron microscopy (TEM) observations. Interestingly, these structures display opposite Cotton effects in the chromophore of the aromatic unit in spite of the same chirality (R,R) of the chiral bridging groups. The molecules were observed to self‐assemble into cylindrical micellar aggregates in aqueous solution, as confirmed by light scattering and TEM investigations, and exhibit intense signals in the circular dichroism (CD) spectra, which are indicative of one‐handed helical conformations. The CD spectra of each molecule showed opposite signals to each other, which were similar to those in the bulk. Notably, when the opened CBR was added to a solution of closed CBRs up to a certain concentration, the CD signal of the closed CBR was amplified. This implies that both molecules co‐assemble into a one‐handed helical structure because the opened chiral bridge is conformationally flexible, which is inverted to co‐assemble with the closed CBR. These results demonstrate that small structural modifications of the chiral moiety can transfer the chiral information to a supramolecular assembly in the opposite way.
Efficient and Convenient Heterogeneous Palladium‐Catalyzed Regioselective Deuteration at the Benzylic Position
Authors: Kurita Takanori , Hattori Kazuyuki , Seki Saori , Mizumoto Takuto , Aoki Fumiyo , Yamada Yuki , Ikawa Kanoko , Maegawa Tomohiro , Monguchi Yasunari , Sajiki Hironao
Published: October 2007

The Pd/C‐catalyzed efficient and regioselective hydrogen–deuterium (H‐D) exchange reaction on the benzylic site proceeded in D2O in the presence of a small amount of H2 gas. The use of the Pd/C–ethylenediamine complex [Pd/C(en)] as a catalyst instead of Pd/C led to the efficient deuterium incorporation into the benzylic site of O‐benzyl protective groups without hydrogenolysis. These H‐D exchange reactions provide a post synthetic and D2‐gas‐free deuterium‐labeling method on a wide variety of benzylic sites using D2O as the deuterium source and heterogeneous Pd/C or Pd/C(en) as a reusable heterogeneous palladium catalyst under mild and neutral conditions.
Combining Computational and Biochemical Studies for a Rationale on the Anti‐Aromatase Activity of Natural Polyphenols
Authors: Neves Marco A. C. , Dinis Teresa C. P. , Colombo Giorgio , Sá e Melo M. Luisa
Published: October 2007

Aromatase, an enzyme of the cytochrome P450 family, is a very important pharmacological target, particularly for the treatment of breast cancer. The anti‐aromatase activity of a set of natural polyphenolic compounds was evaluated in vitro. Strong aromatase inhibitors including flavones, flavanones, resveratrol, and oleuropein, with activities comparable to that of the reference anti‐aromatase drug aminoglutethimide, were identified. Through the application of molecular modeling techniques based on grid‐independent descriptors and molecular interaction fields, the major physicochemical features associated with inhibitory activity were disclosed, and a putative virtual active site of aromatase was proposed. Docking of the inhibitors into a 3D homology model structure of the enzyme defined a common binding mode for the small molecules under investigation. The good correlation between computational and biological results provides the first rationalization of the anti‐aromatase activity of polyphenolic compounds. Moreover, the information generated in this approach should be further exploited for the design of new aromatase inhibitors.
Infrared Spectra of Protonated Uracil, Thymine and Cytosine
Authors: Salpin Jean‐Yves , Guillaumont Sébastien , Tortajada Jeanine , MacAleese Luke , Lemaire Joël , Maitre Philippe
Published: October 2007

The gas‐phase structures of protonated uracil, thymine, and cytosine are probed by using mid‐infrared multiple‐photon dissociation (IRMPD) spectroscopy performed at the Free Electron Laser facility of the Centre Laser Infrarouge d′Orsay (CLIO), France. Experimental infrared (IR) spectra are recorded for ions that were generated by electrospray ionization, isolated, and then irradiated in a quadrupole ion trap; the results are compared to the calculated infrared absorption spectra of the different low‐lying isomers (computed at the B3LYP/6‐31++G(d,p) level). For each protonated base, the global energy minimum corresponds to an enolic tautomer, whose infrared absorption spectrum matched very well with the experimental IRMPD spectrum, with the exception of a very weak IRMPD signal observed at about 1800 cm−1 in the case of the three protonated bases. This signal is likely to be the signature of the second‐energy‐lying oxo tautomer. We thus conclude that within our experimental conditions, two tautomeric ions are formed which coexist in the quadrupole ion trap.
IR and NMR Properties of Ionic Liquids: Do They Tell Us the Same Thing?
Authors: Wulf Alexander , Fumino Koichi , Michalik Dirk , Ludwig Ralf
Published: October 2007

We used a combination of theoretical and experimental methods to derive the spectroscopic properties of imidazolium‐based ionic liquids. Vibrational frequencies, NMR chemical shifts, and quadrupole coupling constants react in comparable manner to changes in the chemical environment. This suggests that both the IR and the NMR spectroscopic properties reflect a similar type of electronic perturbation caused by hydrogen bonding. These relationships of the spectroscopic properties provide detailed information about structural complexes and may thus serve as good indicators of ion‐pair formation. They also help to decide which spectroscopic tool is the most sensitive for investigating molecular interactions. The measurement of only one spectroscopic property allows the prediction of other properties that cannot be so easily measured. In some cases, this is the only way to obtain reliable coupling constants for deriving molecular correlation times from macroscopic NMR relaxation times, thus opening a new path for studying structure–dynamics relations in ionic liquids.
The sources and manifestations of stress amongst school‐aged dyslexics, compared with sibling controls
Authors: Alexander‐Passe Neil
Published: October 2007

All school children experience stress at some point in their school careers. This study investigates whether dyslexic children, by way of their educational and social difficulties, experience higher levels of stress at school. The School Situation Survey was used to investigate both the sources and manifestations of stress amongst dyslexic children and non‐dyslexic sibling controls. Samples were broken down by gender, age and the size of families. Results suggest significant differences between the groups, with dyslexics in academic years 3–5 experiencing the highest stress levels, specifically in interactions with teachers, worries over academic examinations (SATs) and performance testing, causing emotional (fear, shyness and loneliness) and physiological (nausea, tremors or rapid heart beat) manifestations. Results also suggest that dyslexics in larger families (3–4 sibling families) experience greater stress in interactions with their peers, than those in smaller families (two sibling families)—possibly from unfair sibling comparison. Copyright © 2007 John Wiley & Sons, Ltd.
Oxoethoxide Chlorides – Representatives of Oligonuclear Alkoxide Complexes of Gallium: Penta‐ and Dodecanuclear Molecules
Authors: Suslova Evgeniya V. , Kessler Vadim G. , Gohil Suresh , Turova Nataliya Ya.
Published: October 2007

Metathesis of solid GaCl3 with NaOEt/EtOH (1:3) provided, after separation of the NaCl precipitate, a solution containing oxoalkoxide chloride complexes of gallium. Residues from evacuation of the latter were redissolved in either toluene/MeCN (solution 1) or toluene/pyridine (solution 2). Storage of the first solution provided crystals of Ga5(μ5‐O)(μ‐OEt)8Cl5 (1), and of the second solution – [Ga12(μ4‐O)2(μ3‐O)5(μ‐OEt)10Cl12Py4]Py (2), both at room temperature and in relatively high yields. Compound 1 crystallizes as a vertically contracted tetragonal pyramid with the μ5‐O ligand situated in the center of the equatorial plane defined by four trigonal bipyramidal coordinated gallium atoms. The axial Ga atom has octahedral coordination. All eight edges of the pyramid are capped by μ‐OEt groups, and all the chloride ligands are situated in terminal positions. Crystals of [Ga12(μ4‐O)2(μ3‐O)5(μ‐OEt)10Cl12Py4]Py (2) contain two [Ga5(μ4‐O)(μ3‐O)2(μ‐OEt)5Cl5Py] fragments connected through a cyclic [Ga4(μ3‐O)5Cl2Py2] unit with a μ3‐O ligand in its center. Of the metal atoms, three possess tetrahedral, seven trigonal bipyramidal, and two octahedral coordination. The mass spectrum of 1 contains penta‐ and tetranuclear fragments. The spectrum of 2 contains heptameric fragments in addition to the pentanuclear fragments that are analogous to those in the spectrum of 1. The factors leading to formation of polymeric M(OR)n and related oligonuclear oxocomplexes are discussed.(© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2007)
Synthesis of Bis(catechol) Ligands Derived from Tröger's Base and Their Dinuclear Triple‐Stranded Complexes with Titanium(IV) Ions
Authors: Kiehne Ulf , Lützen Arne
Published: October 2007

Bis(catechol) ligands derived from 2,8‐disubstituted analogues of Tröger's base and monofunctionalized MOM‐protected or unprotected catechols bearing both rigid and flexible spacers were synthesized, which gave rise to dissymmetric oxygen donor ligands whose geometry is defined by the V‐shaped and rigid structure of the core of Tröger's base. These racemic ligands undergo self‐assembly to dinuclear triple‐stranded helicates upon coordination to titanium(IV) ions as was proven by NMR spectroscopy and ESI‐MS experiments; however, these processes are not diastereoselective.(© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2007)
Intra‐group interaction and the development of norms which promote inter‐group hostility
Authors: Smith Laura G. E. , Postmes Tom
Published: October 2007

Research suggests there is more inter‐group discrimination when rewards rather than punishments are distributed between groups (the positive‐negative asymmetry effect). This study investigated whether intra‐group interaction and the obstruction of in‐group advancement moderate this finding. Participants were twice asked to divide monetary resources—individually (pre‐consensus) and in interactive groups (consensus). Results confirmed that there was more discrimination when rewards were allocated. Although this replicates the PNAE overall, there were two moderators. First, there was no asymmetry when the out‐group obstructed in‐group advancement: obstruction was sufficient to legitimise punishment. Second, after group interaction the PNAE reversed so that there was more discrimination when punishments were administered. The severity of discrimination was contingent upon group norms that endorsed inter‐group hostility. It is argued that norms changed as a function of group interaction, and so did patterns of discrimination. The results suggest that the intra‐and inter‐group context combined to cause in‐group favouritism to slide towards inter‐group hostility. Copyright © 2007 John Wiley & Sons, Ltd.
The glycerin glut: Options for the value‐added conversion of crude glycerol resulting from biodiesel production
Authors: Johnson Duane T. , Taconi Katherine A.
Published: October 2007

Dramatic increases in the price of crude oil, and consequently, transportation fuels, coupled with increased environmental concerns have resulted in rapid growth in biodiesel production, both in the United States and worldwide. As biodiesel production increases, so does production of the primary coproduct, glycerol. Since the existing glycerol supply and demand market was tight, recent increases in glycerol production from biodiesel refining has created a glut in the glycerol market. As a result, the price of glycerol has fallen significantly and biodiesel refiners are faced with limited options for managing the glycerol by‐product, which in the biodiesel industry, has essentially become a waste stream. This article is a review of promising options for both the catalytic and biological conversion of glycerol into various value‐added products, many of which are bio‐based alternatives to petroleum‐derived chemicals. © 2007 American Institute of Chemical Engineers Environ Prog, 26: 338–348, 2007
A catchment‐scale assessment of anabranching in the 143 000 km2 Fitzroy River catchment, north‐eastern Australia
Authors: Amos Kathryn J. , Croke Jacky C. , Hughes Andrew O. , Chapman Joanne , Takken Ingrid , Lymburner Leo
Published: October 2007

This paper presents a catchment‐scale investigation of anabranching in the moderately large 143 000 km2 Fitzroy River catchment in north‐eastern Australia. The primary aim is to determine whether mapped and remotely sensed data can provide useful information about the characteristics of anabranching in a catchment of this scale. Anabranching comprises 6% of the total channel network by length, and 24% of higher‐order channels (those with catchment areas over 100 km2). Three anabranching planform morphologies are described, which occur in geographically distinct regions, and add to previous descriptions of anabranching rivers. Sinuosity and link length are calculated for all channels of the mapped channel network (a link is a stretch of river between two stream junctions). Slope, mean floodplain width, mean annual rainfall and underlying and catchment geology parameters are calculated for links of a stream network derived from a digital elevation model (DEM), in which each link has either a single channel or anabranching morphology. Anabranching and single channel links do not occupy different ranges of attribute values, and a logistic regression analysis was unable to predict anabranching. However, slope, catchment area, mean floodplain width, length and sinuosity parameters all have significantly different means when comparing single channel with anabranching links, although it is shown that the difference in mean floodplain widths is the result of its correlation with catchment area. Anabranching channels have a tendency towards shorter link lengths, lower sinuosities and lower valley slopes and occur at larger catchment areas than single channels. These differences are discussed in the context of published hypotheses regarding the cause of anabranching. However, the spatial resolution and precision of our data limit our ability to investigate controls on anabranching, which will require detailed measurement of variables at a reach scale. Copyright © 2007 John Wiley & Sons, Ltd.
Daytime pharmacodynamic and pharmacokinetic evaluation of low‐dose sublingual transmucosal zolpidem hemitartrate
Authors: Roth Thomas , Mayleben David , Corser Bruce C. , Singh Nikhilesh N.
Published: October 2007

Objectives

Buffered low‐dose sublingual transmucosal zolpidem lozenge hemitartrate (ST zolpidem) is being developed for the treatment of middle‐of‐the‐night insomnia. The objective of this double‐blind placebo‐controlled cross‐over study (n = 24) was to evaluate the pharmacokinetics (PK) and daytime‐sedative profile of 1.0, 1.75, and 3.5 mg dose of the formulation.

Methods

Daytime sedation was measured pre‐dose and up to 5 h post‐dose objectively by the Digit Symbol Substitution Test (DSST) and subjectively using the Visual Analog Scale (VAS). Blood samples for PK assessment was collected pre‐dose and up to 12 h post‐dose.

Results

The 1.75 and 3.5 mg, but not the 1 mg, ST zolpidem produced significant sedation versus placebo within 20 min of dosing which lasted for up to 3 h. Zolpidem from the formulation was rapidly absorbed and reached maximum plasma concentrations within 38 min of dosing, however the half‐life was independent of the dose and side effects were consistent with the known pharmacology of the drug.

Conclusions

ST zolpidem produced rapid, short duration of sedation and the effect was consistent with its PK profile. This novel low‐dose formulation of zolpidem may provide clinicians and patients with a prn option for the management of sleep maintenance insomnia. Copyright © 2007 John Wiley & Sons, Ltd.
A fuzzy dynamic wave routing model
Authors: Gopakumar R. , Mujumdar P. P.
Published: October 2007

In this paper a fuzzy dynamic wave routing model (FDWRM) for unsteady flow simulation in open channels is presented. The continuity equation of the dynamic wave routing model is preserved in its original form while the momentum equation is replaced by a fuzzy rule based model which is developed on the principle that during unsteady flow the disturbances in the form of discontinuities in the gradient of the physical parameters will propagate along the characteristics with a velocity equal to that of velocity of the shallow water wave. The model gets rid off the assumptions associated with the momentum equation by replacing it with the fuzzy rule based model. It overcomes the necessity of calculating friction slope (Sf) in flow routing and hence the associated uncertainties are eliminated. The robustness of the fuzzy rule based model enables the FDWRM to march the solution even in regions where the aforementioned assumptions are violated. Also the model can be used for flow routing in curved channels. When the model is applied to hypothetical flood routing problems in a river it is observed that the results are comparable to those of an implicit numerical model (INM) which solves the dynamic wave equations using an implicit numerical scheme. The model is also applied to a real case of flow routing in a field canal. The results match well with the measured data and the model performs better than the INM. Copyright © 2007 John Wiley & Sons, Ltd.
Pedotransfer functions estimating soil hydraulic properties using different soil parameters
Authors: Børgesen Christen D. , Iversen Bo V. , Jacobsen Ole H. , Schaap Marcel G.
Published: October 2007

Estimates of soil hydraulic properties using pedotransfer functions (PTF) are useful in many studies such as hydrochemical modelling and soil mapping. The objective of this study was to calibrate and test parametric PTFs that predict soil water retention and unsaturated hydraulic conductivity parameters. The PTFs are based on neural networks and the Bootstrap method using different sets of predictors and predict the van Genuchten/Mualem parameters. A Danish soil data set (152 horizons) dominated by sandy and sandy loamy soils was used in the development of PTFs to predict the Mualem hydraulic conductivity parameters. A larger data set (1618 horizons) with a broader textural range was used in the development of PTFs to predict the van Genuchten parameters. The PTFs using either three or seven textural classes combined with soil organic mater and bulk density gave the most reliable predictions of the hydraulic properties of the studied soils. We found that introducing measured water content as a predictor generally gave lower errors for water retention predictions and higher errors for conductivity predictions. The best of the developed PTFs for predicting hydraulic conductivity was tested against PTFs from the literature using a subdata set of the data used in the calibration. The test showed that the developed PTFs gave better predictions (lower errors) than the PTFs from the literature. This is not surprising since the developed PTFs are based mainly on hydraulic conductivity data near saturation and sandier soils than the PTFs from the literature. Copyright © 2007 John Wiley & Sons, Ltd.
Continuous spatially distributed simulation of surface and subsurface hydrological processes in a small semiarid catchment
Authors: Maneta Marco , Schnabel Susanne , Jetten Victor
Published: October 2007

Modelling the hydrologic processes of semiarid basins is specially challenging due to the specific characteristics of this type of environment. The discontinuity of the processes both in space and in time produces a highly complicated rainfall–runoff relationship. Runoff production and reinfiltration areas produce a discontinuous spatial pattern of runoff; channel flow is ephemeral and restricted to the wet season of the year or to heavy rainfalls, and many local saturated layers of soil separated by unsaturated areas can occur. The hydrological connection of the different parts of the basin produces a nonlinear and complex hydrologic behaviour because different response mechanisms of the basin are triggered as the hydrological connectivity increases. Similarly, as connectivity decreases, so does the information arriving at the monitored state variables used to calibrate the model and to understand the system. This paper describes the application of a distributed hydrologic model to describe the hydrologic behaviour of a small semiarid basin including surface and subsurface processes. The model is parameterized and calibrated to simulate a period of 71 days covering the transition of the basin from a dry to a wet state, during which most of the hydrologic processes of the basin are activated. The calibration strategy used different sources and types of information on the state of the basin and an efficient gradient based search algorithm to find the optimal values of the most sensitive parameters. The modelled hydrograph and the modelled internal description of the basin were analysed in the light of its known behaviour and the existing knowledge of semiarid hydrology reported in the literature. The results indicate that while the integrated behaviour of the basin represented by the output hydrograph can be well reproduced, the subsurface processes and the internal dynamics of the basin are less accurately simulated, mainly due to the lack of information on the geometry of the subsurface domain (soil depths and bedrock topography) and on the spatial distribution of the parameters. Copyright © 2007 John Wiley & Sons, Ltd.
Effects of reduced land cover detail on hydrological model response
Authors: Armstrong Robert N. , Martz Lawrence W.
Published: October 2007

Problems related to scale continue to be at the forefront of research in hydrology. Past research into issues of scale has focused mainly on digital elevation model grid size, the appropriate number and size of sub‐areas for subdividing a watershed, parameter transferability between watersheds and appropriate scales for linking hydrological and general circulation models. Much less attention has been given to the effects of scale on the representation of land cover and hydrological model response. Recent studies with respect to changes in land cover and hydrologic response have tended to focus on the issue of land cover maturity and the conversion of land through agricultural and forestry practices. The focus of this study is to examine the impact of the level of detail at which land cover is represented in modelling the hydrological response of Wolf Creek Basin in northwest Canada. A grid‐based land cover map with a spatial resolution of 30 m is coarsened or smoothed using several common grid‐based methods of aggregating categorical data, including: pixel thinning, modal smoothing and modal aggregation. A majority rule method based on polygons is also applied to the 30 m base cover. The SLURP hydrologic model is calibrated for the base cover and used as a reference for comparing simulations for the coarsened or ‘generalized’ land cover maps. Results of the simulations are compared to examine the sensitivity of hydrologic response to generalized land cover information. Comparisons of the SLURP model runs for Wolf Creek suggest that reducing the level of detail of land cover information generally has a limited effect on hydrologic response at the outlet. However, results for averages of water balance components across the basin suggest that the local variability of hydrologic response is affected in general. Copyright © 2007 John Wiley & Sons, Ltd.
Control of osteopontin signaling and function by post‐translational phosphorylation and protein folding
Authors: Kazanecki Christian C. , Uzwiak Dana J. , Denhardt David T.
Published: October 2007

Osteopontin (OPN) plays roles in a variety of cellular processes from bone resorption and extracellular matrix (ECM) remodeling to immune cell activation and inhibition of apoptosis. Because it binds receptors (integrins, CD44 variants) typically engaged by ECM molecules, OPN acts as a “soluble” ECM molecule. A persistent theme throughout the characterization of how OPN functions has been the importance of phosphorylation. The source of the OPN used in specific experiments and the location of modified sites is an increasingly important consideration for OPN research. We review briefly some of the ways OPN impacts on the biology of mammalian systems with an emphasis on the importance of serine phosphorylation in modulating its signaling ability. We describe experiments that support the hypothesis that differences in the post‐translational phosphorylation of OPN expressed by different cell types regulate how it impacts on target cells. Analyses of OPN's potential secondary structure reveal a possible beta‐sheet conformation that offers an interpretation of certain experimental observations, specifically the effect of thrombin cleavage; it is consistent with an interaction between the C‐terminal region of the protein and the central integrin‐binding RGD sequence. J. Cell. Biochem. 102: 912–924, 2007. © 2007 Wiley‐Liss, Inc.
New Tabu Search based global optimization methods outline of algorithms and study of efficiency
Authors: Stepanenko Svetlana , Engels Bernd
Published: October 2007

The study presents two new nonlinear global optimization routines; the Gradient Only Tabu Search (GOTS) and the Tabu Search with Powell's Algorithm (TSPA). They are based on the Tabu‐Search strategy, which tries to determine the global minimum of a function by the steepest descent–mildest ascent strategy. The new algorithms are explained and their efficiency is compared with other approaches by determining the global minima of various well‐known test functions with varying dimensionality. These tests show that for most tests the GOTS possesses a much faster convergence than global optimizer taken from the literature. The efficiency of the TSPA compares to the efficiency of genetic algorithms. © 2007 Wiley Periodicals, Inc. J Comput Chem, 2008
Carbon‐14 labeling of Saxagliptin (BMS‐477118)
Authors: Cao Kai , Bonacorsi Samuel J. , Balasubramanian Balu , Hanson Ronald L. , Manchand Percy , Godfrey Jollie D. , Fox Rita , Christopher Lisa J. , Su Hong , Iyer Ramaswamy
Published: October 2007

An efficient synthesis of carbon‐14‐labeled Saxagliptin (BMS‐477118) is described. Initial synthesis of the key radiolabeled intermediate (S)‐N‐Boc‐2‐(3′‐hydroxyadamantyl)glycine 2a utilized adamantanemethanol in a 10‐step sequence. To shorten the sequence, 1‐adamantylzinc bromide was reacted with ethyl [1, 2‐14C]oxalyl chloride catalyzed by [1,1′‐bis(diphenylphosphino)ferrocene]dichloropalladium (II). In five steps, 2b was synthesized in an overall yield of 20% based on ethyl [1, 2‐14C]oxalyl chloride. Compound 2b was subsequently converted to [14C] BMS‐477118 in a short sequence. Copyright © 2007 John Wiley & Sons, Ltd.
Resonance Raman and electronic absorption study of free‐base tetraphenylporphine diacid dispersed in polymethylcyanoacrylate
Authors: Saini G. S. S. , Sharma Amit , Singh Sukhwinder , Abbas J. M. , Tripathi S. K. , Kaur Sarvpreet , Mahajan C. G. , Thanga H. H. , Verma A. L.
Published: October 2007

We report a resonance Raman study on free‐base tetraphenylporphine (H2TPP) and its chemically prepared diacid dispersed in polymethylcyanoacrylate (PMCA). Photoexcitation of the neutral porphine by laser light leads irreversibly to the formation of the diacid, with the π‐cation radical as intermediate species. Resonance Raman (RR) spectra of the diacid dispersed in the polymer obtained with 441.6 nm in the wavenumber region of 100–1650 cm−1 are recorded. Wavenumbers with other excitation lines are also reported for the diacid species. Some bands assigned to out‐of‐plane vibrational modes and forbidden under ideal D2h symmetry are also observed in the resonance Raman spectra of the diacid. These bands arise from the out‐of‐plane distortions, which reduce the symmetry of the molecule. These findings are supported by the electronic absorption studies of the diacid in the polymer. Copyright © 2007 John Wiley & Sons, Ltd.
Raman analysis of MWCNTs produced by catalytic CVD: derivation of a scaling law for the growth parameters
Authors: Donato M. G. , Galvagno S. , Messina G. , Milone C. , Pistone A. , Santangelo S.
Published: October 2007

The results of the quantitative Raman analysis, performed on multi‐walled carbon nanotubes produced by iron‐catalysed chemical vapour deposition, are utilised for deriving a scaling law for the growth parameters. A semi‐empirical approach, already successfully applied to different materials and growth techniques, is utilised and demonstration is given that the reaction outcome, in terms of yield to C deposits and crystalline perfection of nanotubes attained, analytically depends on the growth parameters through a single dimensionless combination of them. Copyright © 2007 John Wiley & Sons, Ltd.
Raman microspectroscopic mapping or thermal system used to investigate milling‐induced solid‐state conversion of famotidine polymorphs
Authors: Cheng Wen‐Ting , Lin Shan‐Yang , Li Mei‐Jane
Published: October 2007

Confocal Raman microspectroscopy was used to nondestructively determine the polymorphic conversion of famotidine in the course of the milling process. A mapping system was applied to assess the blending uniformity of each polymorphic component in the milled mixture. Raman microspectroscopy combined with a thermal analyzer was also used to investigate the synergistic co‐effects of milling and heating on the polymorphic conversion of famotidine polymorphs. Famotidine has two polymorphs, forms A and B, the raw material of famotidine used was proved to be of form B. The Raman peak intensity ratio of the 2920 cm−1 band for form A and 2897 cm−1 band for form B was used to act as an indicator to evaluate the polymorphic conversion of famotidine form B to form A after different milling courses. The results indicate that the peak intensity at 2897 cm−1 gradually decreased with the milling time, whereas the peak intensity at 2920 cm−1 slowly enlarged, suggesting the polymorphic conversion of famotidine from form B to form A. The longer milling process might strongly induce and promote this polymorphic conversion of famotidine. Both polymorphic forms of famotidine were found to be well uniformly distributed within the milled samples due to their smaller varieties by using the Raman microscopic mapping system. The temperature effect could synergistically accelerate the polymorphic conversion of famotidine from form B to form A in the milled sample. The thermal‐dependent critical temperature for sharply enhancing the content of famotidine form A in each milled sample was also identified. Copyright © 2007 John Wiley & Sons, Ltd.
Antioxidant phenolic esters with potential anticancer activity: A Raman spectroscopy study
Authors: Calheiros R. , Machado N. F. L. , Fiuza S. M. , Gaspar A. , Garrido J. , Milhazes N. , Borges F. , Marques M. P. M.
Published: October 2007

A Raman study of hydroxycinnamic and hydroxybenzoic esters (caffeates, ferulates and gallates) displaying antioxidant and anticancer properties was undertaken, with particular emphasis on the analysis of the effect of the ring substituents and the nature of the ester alkyl chain on their spectroscopic features. A complete assignment of the spectra was carried out for all the compounds investigated, in the light of the corresponding calculated wavenumbers (at the density functional theory level). Distinct vibrational patterns were observed for each type of ester, thereby allowing their ready characterisation and identification by Raman spectroscopy. Evidence of the occurrence of intermolecular hydrogen bonds, leading to the formation of dimers in the condensed phase, was also obtained. Copyright © 2007 John Wiley & Sons, Ltd.
Antimicrobial activity of anethole and related compounds from aniseed
Authors: Kubo Isao , Fujita Ken‐ichi , Nihei Ken‐ichi
Published: October 2007

The antimicrobial activities of anethole, anisic acid, and eugenol characterized from aniseed were tested against 18 organisms including both bacteria and yeasts. As far as their minimum inhibitory concentration (MIC) values were compared, they are nearly comparable but act in different ways. For example, anethole was noted to be effective against Saccharomyces cerevisiae with a minimum fungicidal concentration (MFC) of 200 µg mL−1 but the activity was observed only when this yeast was growing on fermentable carbon sources in a hypoxic condition. On the other hand, eugenol was effective against S. cerevisiae with an MFC of 800 µg mL−1 in any growing conditions. Anisic acid showed fungistatic activity against this yeast with an MIC of 400 µg mL−1, but not fungicidal up to 1600 µg mL−1. Copyright © 2007 Society of Chemical Industry
Proton T2 relaxation time of J‐coupled cerebral metabolites in rat brain at 9.4 T
Authors: Xin Lijing , Gambarota Giulio , Mlynárik Vladimír , Gruetter Rolf
Published: October 2007

Knowledge of proton T2 relaxation time of metabolites is essential for proper quantitation of metabolite concentrations in localized proton spectroscopy, especially at moderate to long TEs. Although the T2 relaxation time of singlets, such as that of creatine and N‐acetylaspartate, has been characterized in several studies, similar information is lacking from coupled spin resonances of cerebral metabolites. In this study, the T2 relaxation time of coupled spin resonances and singlet resonances of cerebral metabolites was measured in rat brain in vivo at 9.4 T. Spectra were acquired at 11 TEs using the SPin ECho, full Intensity Acquired Localized (SPECIAL) spectroscopy method. Data analysis was performed in the frequency domain with the LCModel software using simulated TE‐specific basis sets. The T2 relaxation times in compounds showing singlet resonances were 113 ± 3 ms (total creatine), 178 ± 29 ms (total choline) and 202 ± 12 ms (N‐acetylaspartate). The T2 values of J‐coupled metabolites ranged from 89 ± 8 ms (glutamate) to 148 ± 14 ms (myo‐inositol). Copyright © 2007 John Wiley & Sons, Ltd.
A nonlinear model predictive control strategy for trajectory tracking of a four‐wheeled omnidirectional mobile robot
Authors: Conceição André Scolari , Moreira A. Paulo , Costa Paulo J.
Published: October 2007

This paper presents a nonlinear model‐based predictive controller (NMPC) for trajectory tracking of a four‐wheeled omnidirectional mobile robot. Methods of numerical optimization to perform real‐time nonlinear minimization of the cost function are used. The cost function penalizes the robot's position error, the robot's orientation angle error, and the control effort. Experimental results of the trajectories following and the performances of the methods of optimization are presented. Copyright © 2007 John Wiley & Sons, Ltd.
Public policy and privatisation: the case of the Qatari experience
Authors: Mansour Ahmed Mustafa Elhussein
Published: October 2007

This article uses a qualitative methodology employing the elite model to describe and analyse the complex interplay of political and economic factors in the privatization experience of the state of Qatar. The article begins by providing a theoretical framework for privatisation in the context of public policy and classifying policies of privatisation into two categories: macro‐ and micro‐privatisation. The second part uses this framework to discuss the factors that gives the Qatari experience its distinguished flavour. These factors include: elite legitimacy and social culture, bureaucratic power, international pressure and patron–client networks. Copyright © 2007 John Wiley & Sons, Ltd.
Retracted: A quantitative approach to benefit‐risk assessment of medicines–part 2; the practical application of a new model Filip Mussen, Sam Salek, Stuart Walker
Authors: Mann Ronald D.
Published: October 2007

The following article from Pharmacoepidemiology and Drug Safety, ‘A Quantitative Approach to Benefit‐Risk Assessment of Medicines—Part 2; The Practical Application of a New Model’ by Mussen F, Salek S & Walker S (Pharmacoepidemiol Drug Saf 2007; 16: S16–S41 DOI: 10.1002/pds.1434) has been retracted by agreement between the authors, the Journal's Editor‐in‐Chief and John Wiley & Sons, Ltd. The retraction has been agreed due to overlap between this article and an internal report published by CMR International Institute; ‘Benefit‐Risk Assessment Model Developing a Structured Approach to Decision Making’.