bluuebunny/crossref_metadata_2025_split huggingface dataset:
N‐(Anilinoethyl)amides: Design and Synthesis of Metabolically Stable, Selective Melatonin Receptor Ligands
Authors: Rivara Silvia , Vacondio Federica , Fioni Alessandro , Silva Claudia , Carmi Caterina , Mor Marco , Lucini Valeria , Pannacci Marilou , Caronno Alessia , Scaglione Francesco , Gobbi Gabriella , Spadoni Gilberto , Bedini Annalida , Orlando Pierfrancesco , Lucarini Simone , Tarzia Giorgio 
Published: September 2009

AbstractThe class of N‐(anilinoethyl)amides includes melatonin receptor ligands with varied subtype selectivity and intrinsic activity. One of these ligands, the MT2‐selective partial agonist UCM765 (N‐{2‐[(3‐methoxyphenyl)phenylamino]ethyl}acetamide), had evidenced hypnotic effects in rodents at doses ≥40 mg kg−1 (s.c.), in spite of its sub‐nanomolar affinity for human melatonin receptors. Supposing that its low in vivo potency could be due, at least in part, to metabolic liability in rat liver, UCM765 was incubated with rat liver S9 fraction and rat, mouse, or human microsomes, and the major metabolites were identified by LC–MS, synthesized, and in vitro tested for their affinity toward MT1 and MT2 receptors. The obtained information was exploited to design novel analogues of UCM765 that are more resistant to in vitro oxidative degradation, while maintaining a similar binding profile. The analogue UCM924 (N‐{2‐[(3‐bromophenyl)‐(4‐fluorophenyl)amino]ethyl}acetamide) displayed a binding profile similar to that of UCM765 on cloned human receptors (MT2‐selective partial agonist) and a significantly longer half‐life in the presence of rat liver S9 fraction.
From the SmA to the Hexatic, Including the SmC*, SmC*Aand SmC*rePhases: A 2H NMR Relaxation Study
Authors: Domenici Valentina , Marini Alberto , Veracini Carlo A. , Malanga Corrado , Menicagli Rita 
Published: September 2009

AbstractThe molecular dynamics of a ferroelectric liquid crystal, denotedZLL 7/*, is investigated by means of2H NMR relaxation. The spin–lattice (T1QandT1Z) and spin–spin (T2) relaxation times of two isotopomers ofZLL 7/*, labeled on the phenyl and biphenyl fragments, are measured and their behavior upon passing from the SmA to the hexatic phase, through the ferroelectric SmC*, antiferroelectric SmC*A, and re‐entrant ferroelectric SmC*rephases, is discussed. A comparison between the measuredT2andT2*, directly related to the experimental linewidth, provides information on the heterogeneity of the system, thus allowing confirmation of previous hypotheses concerning the structural and ordering properties of the SmC*Aand SmC*rephases. The possibility to look at different sites of the core of theZLL 7/*smectogen reveals a peculiar sensitivity of the phenyl moiety with respect to the biphenyl fragment, which may be justified by its vicinity to the chiral centers. Interestingly, the trend of the longitudinal relaxation times is characterized by a minimum that corresponds to the SmC*Aand SmC*rephases, which is reproducible for the two isotopomers and at several Larmor frequencies. A quantitative analysis ofT1QandT1Zis performed in the SmA and SmC* phases, for which the narrowing regime approximation is valid. A multifrequency approach is applied to self‐consistently determine the diffusion coefficients for the overall molecular motions, namely spinning and tumbling, and the internal rotations around theparaaxes of the phenyl and biphenyl fragments. The effect of the magnetic field in unwinding the helical structure of the SmC* phase (forH>9 T) allows observation of a sensitive change in the rotational diffusion coefficients in the frustrated unwound SmC* phase with respect to the SmC* phase.
Strong CH⋅⋅⋅Halide Hydrogen Bonds from 1,2,3‐Triazoles Quantified Using Pre‐Organized and Shape‐Persistent Triazolophanes
Authors: Bandyopadhyay Indrajit , Raghavachari Krishnan , Flood Amar H. 
Published: September 2009

AbstractThe structures associated with halide (F−, Cl−, Br−) complexation inside CH hydrogen‐bonding macrocyclic receptors, called triazolophanes, are characterized using density functional theory (DFT). The associated binding energies in the gas and solution phases are evaluated. The ruffles in the empty triazolophane become smoothed‐out upon Cl−‐ and Br−‐ion binding directly into the middle of the cavity. The largely pre‐organized cavity morphs into an elliptical shape to facilitate shorter hydrogen bonds in the north and south regions and longer ones west and east. The smaller F− ion sits in, and flattens‐out, only the north (or south) region. The 1,2,3‐triazoles show shorter CH⋅⋅⋅Cl− contacts than for the phenylenes. Both Cl− and Br− show the same binding geometries but Cl− has a larger binding energy consistent with its stronger Lewis basicity. Model triads were used to decompose the overall binding energy into those of its components. In the course of this triad analysis, anion polarization was identified and its contribution to the triad⋅⋅⋅Cl− binding energy estimated. Consequently, the binding energies for the individual aryl units within the comparatively non‐polarized triazolophanes were estimated. The 1,2,3‐triazoles are twice as strong as the phenylenes thus contributing most of the interaction energy to Cl−‐ion binding. Therefore, the 1,2,3‐triazoles appear to approach the hydrogen bond strengths of the NH donors of pyrrole units.
The Dodo Bird Verdict—controversial, inevitable and important: a commentary on 30 years of meta‐analyses
Authors: Budd Rick , Hughes Ian 
Published: September 2009

AbstractIn this article, the assertion that different psychological therapies are of broadly similar efficacy—often called the ‘Dodo Bird Verdict’—is contrasted with the alternative view that there are specific therapies that are more effective than others for particular diagnoses. We note that, despite thirty years of meta‐analytic reviews tending to support the finding of therapy equivalence, this view is still controversial and has not been accepted by many within the psychological therapy community; we explore this from a theory of science perspective. It is further argued that the equivalence of ostensibly different therapies is an inevitable consequence of the methodology that has dominated this field of investigation; namely, randomised controlled trials [RCTs]. The implicit assumptions of RCTs are analysed and it is argued that what we know about psychological therapy indicates that it is not appropriate to treat ‘type of therapy’ and ‘diagnosis’ as if they were independent variables in an experimental design. It is noted that one logical consequence of this is that we would not expect RCTs to be capable of isolating effects that are specific to ‘type of therapy’ and ‘diagnosis’. Rather, RCTs would only be expected to be capable of identifying the non‐specific effects of covariates, such as those of therapist allegiance. It is further suggested that those non‐specific effects that have been identified via meta‐analysis are not trivial findings, but rather characterise important features of psychological therapy. Copyright © 2009 John Wiley & Sons, Ltd.
Mokken scaling and principal components analyses of the CORE‐OM in a large clinical sample
Authors: Bedford A. , Watson R. , Lyne J. , Tibbles J. , Davies F. , Deary I. J. 
Published: September 2009

AbstractIn a sample of 543 adult National Health Service (NHS) patients referred to a Psychological Therapies Service, the responses to the Clinical Outcomes in Routine Evaluation‐Outcome Measure (CORE‐OM) self‐report questionnaire were examined using conventional principal components analysis (PCA) and a unique application of Mokken Scaling Procedure (MSP). Following the theoretical views of G. A. Foulds, it was suggested that some items more properly belong to the universe of attitudes and traits rather than that of symptoms and states. Accordingly, the analyses were carried out both with and without the CORE‐OM Risk domain items. Both PCAs produced a very large first component of Psychological distress, while the small second component differs. With all items included, the second component was of Risk. With the risk items excluded, the second component was now Functioning. The MSP results, respectively, were of a five‐item scale of Functioning (impaired by depression) and on the second analysis, a five‐item Functioning scale (impaired by anxiety). There was discussion on the criteria for item selection, the time scale specified in questionnaire instructions and the optimum number of items required for a symptom scale. It was concluded that the CORE‐OM item pool did not conform to its purported face validity domains and subdomains, but predominantly constitutes a large Psychological distress scale with considerable item redundancy. Copyright © 2009 John Wiley & Sons, Ltd.
PolyI:C plus IL‐2 or IL‐12 induce IFN‐γ production by human NK cells via autocrine IFN‐β
Authors: Duluc Dorothée , Tan Fang , Scotet Mari , Blanchard Simon , Frémaux Isabelle , Garo Erwan , Horvat Branka , Eid Pierre , Delneste Yves , Jeannin Pascale 
Published: September 2009

AbstractNK lymphocytes and type I IFN (IFN‐α/β) are major actors of the innate anti‐viral response that also influence adaptive immune responses. We evaluated type I IFN production by human NK cells in response to polyI:C, a potent type I IFN‐inducing TLR3 agonist. PolyI:C plus IL‐2/IL‐12 induced IFN‐β (but not IFN‐α) mRNA expression and protein production by highly pure human NK cells and by the human NK cell line NK92. Neutralizing anti‐IFNAR1 or anti‐IFN‐β Ab prevented the production of IFN‐γ induced by polyI:C plus IL‐2/IL‐12. Similarly, IFN‐γ production induced by polyI:C plus IL‐12 was reduced in NK cells isolated from IFNAR1−/− compared with WT mice. The ability of polyI:C plus IL‐12 to induce IFN‐γ production was related to an increase of TLR3, Mda5 and IFNAR expression and by an increase of STAT1 and STAT4 phosphorylation. Collectively, these data demonstrate that NK cells, in response to polyI:C plus IL‐2/IL‐12, produce IFN‐β that induce, in an autocrine manner, the production of IFN‐γ and thereby highlight that NK cells may control the outcome of protective or injurious immune responses through type I IFN secretion.
Concurrent infection with Heligmosomoides polygyrus suppresses anti‐Plasmodium yoelii protection partially by induction of CD4+CD25+Foxp3+ Treg in mice
Authors: Tetsutani Kohhei , Ishiwata Kenji , Ishida Hidekazu , Tu Liping , Torii Motomi , Hamano Shinjiro , Himeno Kunisuke , Hisaeda Hajime 
Published: September 2009

AbstractMalaria and intestinal nematode infection are widespread and co‐infection frequently occurs. We investigated whether co‐infected intestinal nematodes modulate immunity against co‐existing malaria parasites. Infection of C57BL/6 mice with Plasmodium yoelii 17XNL (Py) was transient and self‐limiting, but preceding infection with Heligmosomoides polygyrus (Hp), a mouse intestinal nematode, exacerbated malaria resulting in higher parasite burdens and poor survival of the mice. Co‐infection with Hp led to reduced Py‐responsive proliferation and IFN‐γ production of spleen cells, and higher activation of CD4+CD25+Foxp3+ Treg. In vivo depletion of Treg recovered anti‐Py immunity and rescued co‐infected mice from exacerbated malaria. However, we did not observe any obvious ex vivo activation of Treg by either Hp products or living worms. Our results suggest that intestinal nematodes moderate host immune responses during acute malaria infection by aggressive activation of Treg. Elucidation of the mechanisms of Treg activation in situ is a target for future analyses.
Role of DOCK2 and DOCK180 in fetal thymus colonization
Authors: Lei Yu , Liu Cunlan , Saito Fumi , Fukui Yoshinori , Takahama Yousuke 
Published: September 2009

AbstractFetal thymus colonization is initiated before the vascularization of the thymus primordium. This prevascular colonization of the fetal thymus by T‐lymphoid progenitor cells is guided by the coordination of CCR7‐ and CCR9‐mediated chemokine signals. However, the intracellular signals that mediate the prevascular migration of T‐lymphoid progenitor cells to the fetal thymus are unknown. Here we show that T‐lymphoid progenitor cells in fetal mice express two closely related CDM family molecules, DOCK2 and DOCK180. We found that the prevascular fetal thymus accumulation in vivo was significantly reduced in mice doubly deficient for DOCK2 and DOCK180 but not in mice deficient for either DOCK2 or DOCK180. Immature T‐lymphoid cells from mice doubly deficient for DOCK2 and DOCK180 were defective in their in vitro migration towards fetal thymus lobes. The T‐lymphoid progenitor cells generated in mice lacking DOCK2 and DOCK180 were capable of T‐cell development after their transfer into a fetal thymus environment, and the impaired fetal thymus colonization in mice deficient for DOCK2 and DOCK180 was not as severe as that in mice doubly deficient for CCR7 and CCR9. These results indicate that the combination of DOCK2 and DOCK180 plays a significant but not essential role in prevascular fetal thymus colonization.
Monocyclopentadienyl(niobium) Compounds with Imido and Silsesquioxane Ligands: Synthetic, Structural and Reactivity Studies
Authors: García Carlos , Gómez Manuel , Gómez‐Sal Pilar , Hernández José Manuel 
Published: September 2009

AbstractA new half‐sandwich imido compound, [Nb{η5‐C5H3(SiMe3)2}Cl2(NtBu)] (1), was isolated by treatment of [Nb{η5‐C5H3(SiMe3)2}Cl4] with 1 equiv. LiNHtBu in hexane. Alkylimido derivatives [Nb{η5‐C5H3(SiMe3)2}RR′(NtBu)] (R = Cl, R′ = Me 2; R = R′ = Me 3, CH2SiMe3 4) can be prepared by reaction of 1 with the appropriate alkylating reagent. Silsesquioxane ligand [Si8O12Cl(iBu)7] (5a) can be obtained by treatment of [Si7O9(OH)3(iBu)7] with 1 equiv. silicon tetrachloride in the presence of triethylamine. Ligand 5a reacts with NH3 (g) at low temperatures to yield an amido derivative, [Si8O12(NH2)(iBu)7] (5b), whereas the reaction of the trisilanol with excess BuLi leads to the corresponding lithium salt [Li3Si7O12(iBu)7] (5c). A dichlorido(silsesquioxanylimido)niobium compound [Nb{η5‐C5H3(SiXMe2)(SiMe3)}Cl2{NSi8O12(iBu)7}] (X = Cl 6a, Me 6b) can be prepared by reaction of 1 equiv. tetrachloridoniobium complex [Nb{η5‐C5H3(SiXMe2)(SiMe3)}Cl4] (X = Cl, Me) and amidosilsesquioxane 5b. From 6b, three new alkyl derivatives, [Nb{η5‐C5H3(SiMe3)2}XY(NSi8O12R7)] (R = iBu, X = Cl, Y = Me 7; X = Y = Me 8, CH2SiMe3 9), were isolated by usual alkylation reactions. Alternatively, protonolysis reaction of trisilanol [Si7O9R7(OH)3] with [Nb{η5‐C5H3(SiXMe2)(SiMe3)}Cl4] (X = Cl) in the presence of triethylamine produces a dichlorido derivative, [Nb{η5‐C5H3(SiMe3)(Me2SiOSi7O11R7‐κ2O,O)}Cl2] (R = iBu 10), which can be transformed into an imido complex, [Nb{η5‐C5H3(SiMe3)(Me2SiOSi7O11R7‐κ2O,O)}(NtBu)] (R = iBu 11), by reaction with LiNHtBu, whereas for X = Me, a chlorido complex, [Nb{η5‐C5H3(SiMe3)2}Cl(Si7O12R7‐κ3O,O,O)] (R = iBu 12), can be isolated. Alkylation of 10 and 12 leads to dimethyl, trimethylsilylmethylidene and methyl derivatives 13, 14 and 15, respectively. Alkylimidoniobium complexes 2–4 react with carbon monoxide or xylyl isocyanide at room temperature to give acylimidoniobium [Nb{η5‐C5H3(SiMe3)2}R(NtBu){C(R′)O‐κ2C,O}] (R = Cl, R′ = Me 16; R = R′ = Me 17, CH2SiMe3 18) and iminoacylimidoniobium [Nb{η5‐C5H3(SiMe3)2}R(NtBu){C(Me)NAr‐κ2C,N}] (Ar = 2,6‐Me2C6H3; R = Cl 21, Me 22) compounds by simple insertion reactions. However, compound 13 reacts with CO and 2,6‐Me2C6H3NC, leading to enediolato [Nb{η5‐C5H3(SiMe3)(Me2SiOSi7O11R7‐κ2O,O)}{O(Me)C=C(Me)O‐κ2O,O}] (R = iBu 19) and azaniobacyclopropane [Nb{η5‐C5H3(SiMe3)(Me2SiOSi7O11R7‐κ2O,O)}(CMe2NAr‐κ2C,N)] (R = iBu, Ar = 2,6‐Me2C6H3 20) derivatives through intermolecular coupling between two acyl groups and by a double methyl migration processes, respectively. All new compounds have been characterized by IR spectrophotometry, 1H, 13C{1H} and 29Si{1H} NMR spectroscopy and elemental analysis.(© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009)
Determination of thyreostatics in animal feeds by CE with electrochemical detector
Authors: Kong Dexian , Chi Yuwu , Chen Lichan , Dong Yongqiang , Zhang Lan , Chen Guonan 
Published: September 2009

AbstractA simple, rapid, reproducible and sensitive method based on CE with electrochemical detector was developed for the simultaneous determination of five thyreostatics including 2‐thiouracil (TU), 6‐methyl‐2‐thiouracil (MTU), 6‐propyl‐2‐thiouracil (PTU), 6‐phenyl‐2‐thiouracil (PhTU) and methimazole (TAP) in animal feeds. A home‐made wall‐jet electrochemical detector with a 300 μm diameter platinum‐disk‐working electrode was equipped at the end of separation capillary and used to detect oxidation currents of these thyreostatics. Under the optimum experimental conditions, TU, MTU, PTU, PhTU and TAP could be well separated within 15 min at the separation voltage of 16 kV in 20 mmol/L sodium borate buffer (pH 9.2). The detection limits (S/N=3) of the five thyreostatics in animal feeds were found to be 7.6 μg/kg for TAP, 25 μg/kg for PTU, 15 μg/kg for PhTU, 18 μg/kg for TU and 20 μg/kg for MTU by the developed CE with electrochemical detector method coupled with solid‐phase extraction sample pretreatment technique.
Carbon nanotube/poly(ethylene‐co‐vinyl acetate) composite electrode for capillary electrophoretic determination of esculin and esculetin in Cortex Fraxini
Authors: Chen Zhi , Zhang Luyan , Chen Gang 
Published: September 2009

AbstractIn this report, a novel carbon nanotube/poly(ethylene‐co‐vinyl acetate) (CNT/EVA) composite electrode was developed for the amperometric detection in CE. The composite electrode was fabricated by packing a mixture of CNTs and melted EVA in a piece of fused‐silica capillary under heat. It was coupled with CE for the separation and detection of esculin and esculetin in Cortex Fraxini, a traditional Chinese medicine, to demonstrate its feasibility and performance. Esculin and esculetin have been well separated within 9 min in a 40 cm long capillary at a separation voltage of 12 kV using a 50 mM borate buffer (pH 9.2). The new CNT‐based CE detector offered significantly lower detection potentials, yielded enhanced S/N characteristics, and exhibited high resistance to surface fouling and enhanced stability. It showed long‐term stability and reproducibility with relative standard deviations of less than 5% for the peak current (n=15) and should also find a wide range of applications in other microfluidic analysis systems.
Predicting intra‐urban variation in air pollution concentrations with complex spatio‐temporal dependencies
Authors: Szpiro Adam A. , Sampson Paul D. , Sheppard Lianne , Lumley Thomas , Adar Sara D. , Kaufman Joel D. 
Published: September 2009

AbstractWe describe a methodology for assigning individual estimates of long‐term average air pollution concentrations that accounts for a complex spatio‐temporal correlation structure and can accommodate spatio‐temporally misaligned observations. This methodology has been developed as part of the Multi‐Ethnic Study of Atherosclerosis and Air Pollution (MESA Air), a prospective cohort study funded by the US EPA to investigate the relationship between chronic exposure to air pollution and cardiovascular disease. Our hierarchical model decomposes the space‐‐time field into a “mean” that includes dependence on covariates and spatially varying seasonal and long‐term trends and a “residual” that accounts for spatially correlated deviations from the mean model. The model accommodates complex spatio‐temporal patterns by characterizing the temporal trend at each location as a linear combination of empirically derived temporal basis functions, and embedding the spatial fields of coefficients for the basis functions in separate linear regression models with spatially correlated residuals (universal kriging). This approach allows us to implement a scalable single‐stage estimation procedure that easily accommodates a significant number of missing observations at some monitoring locations. We apply the model to predict long‐term average concentrations of oxides of nitrogen (NOx) from 2005 to 2007 in the Los Angeles area, based on data from 18 EPA Air Quality System regulatory monitors. The cross‐validated IR2 is 0.67. The MESA Air study is also collecting additional concentration data as part of a supplementary monitoring campaign. We describe the sampling plan and demonstrate in a simulation study that the additional data will contribute to improved predictions of long‐term average concentrations. Copyright © 2009 John Wiley & Sons, Ltd.
Spatial—temporal marked point processes: a spectrum of stochastic models
Authors: Renshaw Eric 
Published: September 2009

AbstractMany processes that develop through space and time do so in response not only to their own individual growth mechanisms but also in response to interactive pressures induced by their neighbours. The growth of trees in a forest which compete for light and nutrient resources, for example, provides a classic illustration of this general spatial—temporal growth‐interaction process. Not only has its mathematical representation proved to be a powerful tool in the study and analysis of marked point patterns since it may easily be simulated, but it has also been shown to be highly flexible in terms of its application since it is robust with respect to incorrect choice of model selection. Moreover, it is highly amenable to maximum likelihood and least squares parameter estimation techniques. Currently the algorithm comprises deterministic growth and interaction coupled with a stochastic arrival and departure mechanism. So for systems with a fixed number of particles there is an inherent lack of randomness. A variety of different stochastic approaches are therefore presented, from the exact event—time model through to the associated stochastic differential equation, taking in time‐increment and Tau‐ and Langevin‐Leaping approximations en route. The main algorithm is illustrated through application to forest management and high‐intensity packing of hard particle systems, and comparisons are made with the established force biased approach. Copyright © 2009 John Wiley & Sons, Ltd.
Interval estimation of population parameters based on environmental data with detection limits
Authors: Peng Cheng 
Published: September 2009

AbstractIn this paper, we focus on constructing confidence intervals of normal population parameters based on multiple left‐censored samples (singly and doubly censored samples are special cases). In addition to the asymptotic confidence interval, we propose a bootstrap procedure based on type I left censored samples with multiple censoring limits and use it to construct bootstrap confidence intervals for the population parameters of interest. Guidelines of selecting either asymptotic or bootstrap confidence intervals for practitioners are provided. We also provide some illustrative examples using real‐life data. Copyright © 2009 John Wiley & Sons, Ltd.
Efficiency of routing and resilience mechanisms in packet‐switched communication networks
Authors: Menth Michael , Martin Rüdiger , Hartmann Matthias , Spörlein Ulrich 
Published: September 2009

AbstractIn this work we compare the efficiency of various routing and resilience mechanisms. Their path layout determines the utilisation of links in the network under normal operation and in failure scenarios. For the comparison, the performance measure is the maximum utilisation $\rho_{\cal S}$ of all links for a set of protected failures ${\cal S}$. A routing mechanism is considered more efficient than another if it leads to a lower maximum link utilisation $\rho_{S}$. We consider standard and optimised versions of IP routing and rerouting, optimised routing using explicit paths and end‐to‐end protection switching, as well as standard and optimised versions of Multiprotocol label switching (MPLS) fast reroute. The results show that routing optimisation reduces the maximum link utilisation significantly both with and without failure protection. The optimisation potential for resilient routing is limited by the applied mechanism and depends heavily on the network structure and the set of protected failure scenarios ${\cal S}$. Copyright © 2009 John Wiley & Sons, Ltd.