bluuebunny/crossref_metadata_2025_split huggingface dataset:
Determining the Intermolecular Structure in the S0 and S1 States of the Phenol Dimer by Rotationally Resolved Electronic Spectroscopy
Authors: Schmitt Michael , Böhm Marcel , Ratzer Christian , Krügler Daniel , Kleinermanns Karl , Kalkman Ivo , Berden Giel , Meerts W. Leo 
Published: May 2006

AbstractThe rotationally resolved UV spectra of the electronic origins of five isotopomers of the phenol dimer have been measured. The complex spectra are analyzed using a fitting strategy based on a genetic algorithm. The intermolecular geometry parameters have been determined from the inertial parameters for both electronic states and compared to the results of ab initio calculations. In the electronic ground state, a larger hydrogen‐bond length than in the ab initio calculations is found together with a smaller tilt angle of the aromatic rings, which shows a more pronounced dispersion interaction. In the electronically excited state, the hydrogen‐bond length decreases, as has been found for other hydrogen‐bonded clusters of phenol, and the two aromatic rings are tilted less toward each other.
Design, Crystal Growth, Characterization, and Second‐Order Nonlinear Optical Properties of Two New Three‐Dimensional Coordination Polymers Containing Selenocyanate Ligands
Authors: Li Sheng‐Li , Wu Jie‐Ying , Tian Yu‐Peng , Ming Hai , Wang Pei , Jiang Min‐Hua , Fun Hoong‐Kun 
Published: May 2006

AbstractTwo new second‐order nonlinear optical coordination polymers, zinc cadmium tetraselenocyanate ([ZnCd(SeCN)4]n, 1) and cadmium mercury tetraselenocyanate ([CdHg(SeCN)4]n, 2), have been synthesized by reactions of self‐assembly. Their structural, optical, and physicochemical properties were characterized by X‐ray diffraction, infrared and Raman spectroscopy, electronic spectra, and thermal analyses. Structure analyses reveal that they belong to the tetragonal system I$\bar {4}$ space group. The cell dimensions for 1: a = 11.3420(1), b = 11.3420(1), c = 4.6326(1) Å, V = 595.94(1) Å3, Z = 2, Dc = 3.331 g·cm–3, R1 = 0.0411, wR2 = 0.1058; for 2: a = 11.6579(7), b = 11.6579(7), c = 4.5109(4) Å, V = 613.06(8) Å3, Z = 2, Dc = 3.970 g·cm–3, R1 = 0.0432, wR2 = 0.1031. The structural features of 1 and 2 are Cd–Se=C=N–Zn and Hg–Se=C=N–Cd bridges, respectively, which lead to the formation of an infinite three‐dimensional (3D) network. Consistent with their polar structures, compounds 1 and 2 exhibit powder second harmonic generation (SHG) responses much stronger than urea, indicating quite a promising application potential as useful nonlinear optical (NLO) materials. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2006)
Innovative Catalytic Protocols for the Ring‐Closing Friedel–Crafts‐Type Alkylation and Alkenylation of Arenes
Authors: Bandini Marco , Emer Enrico , Tommasi Simona , Umani‐Ronchi Achille 
Published: May 2006

AbstractOver the past years an astonishing number of highly chemo‐ and regioselective intramolecular Friedel–Crafts (IMFC)‐type alkylations of aromatic compounds have been described in the literature that allow remarkable synthetic shortcuts for the preparation of challenging aromatic compounds. In particular, both transition metal and conventional and unusual Lewis acids (LAs) have been described to promote ring‐closing reactions even in the presence of polyfunctionalized cyclization precursors. Finally, the emerging field of catalytic enantioselective FC alkylations has recently concerned also intramolecular transformations both in the presence of chiral organic and organometallic promoters. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2006)
Liquid Chromatography Under Limiting Conditions of Insolubility, II
Authors: Berek Dušan 
Published: May 2006

AbstractSummary:Liquid chromatography under limiting conditions of insolubility (LC LCI) is a novel member of the group of liquid chromatographic methods working under limiting conditions of enthalpic interactions (LC LC). These employ differences in the velocity of small, pore permeating molecules (eluent components, auxilliary substances) and large, excluded macromolecules (sample components) in the course of their transport along an LC column packed with porous particles. A “barrier” of slowly moving small molecules of an appropriate nature selectively decelerates certain kinds of macromolecules due to their enthalpic interactions either with the column packing mediated by the barrier or with the barrier itself. The retained macromolecules accumulate on the barrier edge and elute from the column independently of their molar mass. Other kind(s) of macromolecules may be inert towards the barrier effect and elute in the exclusion mode. In this way, polymer species of different natures can be easily and efficiently separated. In LC LCI, a barrier impermeable to macromolecules consists of a narrow zone of non‐solvent, which is injected into the column immediately before the sample solution. The effects of basic experimental variables on the LC LCI elution of selected model polymer species were studied in the present work. These included both the polarity and pore size of the column packing, the nature and composition of the eluent, sample concentration and volume and the non‐solvent barrier width, as well as temperature. The general LC LCI behavior of macromolecules was confirmed. It was only slightly affected by the experimental conditions mentioned above, as long as the precipitation power of the non‐solvent barrier remained high enough. It has been demonstrated that LC LCI operates over a very broad polymer molar mass range, from a few thousand g · mol−1up to several million g · mol−1. Under well chosen experimental conditions, LC LCI produces well focused polymer peaks, even for extremely large sample volumes reaching 16% of the total column volume. Narrow pore column packings are preferred because wide pore materials may produce skewed or even split LC LCI peaks. Chromatographically strong eluents and barrier components prevent adsorption of the sample on the column packing so that the mixed retention mechanism is avoided and the elution behavior of macromolecules is controlled exclusively by their solubility. In conclusion, LC LCI is a robust, user‐friendly technique which can help solve numerous separation problems in polymer science. For example, LC LCI enables fast and efficient separation of polymer species, which differ in their chemical composition.Fast and efficient separation of the LC LCI eluted polystyrene from the SEC eluted poly(methyl methacrylate) of similar molar mass.magnified imageFast and efficient separation of the LC LCI eluted polystyrene from the SEC eluted poly(methyl methacrylate) of similar molar mass.
A characterization of generalized poles of generalized Nevanlinna functions
Authors: Luger Annemarie 
Published: May 2006

AbstractGeneralized poles of a generalized Nevanlinna functionQ∈ 𝒩κ(ℋ︁) are defined in terms of the operator representation ofQ. In this paper those generalized poles that are not of positive type and their degrees of non‐positivity are characterized analytically by means of pole cancellation functions. (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Correlation betweenin vitroandin vivoconcentration–effect relationships of naproxen in rats and healthy volunteers
Authors: Huntjens Dymphy R H , Spalding David J M , Danhof Meindert , Della Pasqua Oscar E 
Published: May 2006

Understanding the mechanisms underlying the analgesic effect of new cyclooxygenase inhibitors is essential to identify dosing requirements in early stages of drug development. Accurate extrapolation to humans ofin vitroandin vivofindings in preclinical species is needed to optimise dosing regimen in inflammatory conditions.The current investigation characterises the inhibition of prostaglandin E2 (PGE2) and thromboxane B2 (TXB2) by naproxenin vitroandin vivoin rat and human blood. The inhibition of PGE2in the absence or presence of increasing concentrations of naproxen (10−8–10−1 M) was measured byex vivowhole blood stimulation with LPS, whereas inhibition of TXB2was measured in serum following blood clotting. In further experiments, inhibition of PGE2and TXB2levels was also assessedex vivoin animals treated with naproxen (2.5, 10, 25 mg kg−1). Subsequently, pharmacokinetic (PK)/pharmacodynamics (PD) modelling ofin vitroandin vivodata was performed using nonlinear mixed effects in NONMEM (V).Inhibition of PGE2and TXB2was characterised by a sigmoidEmaxmodel. The exposure–response relationshipsin vitroandin vivowere of the same order of magnitude in both species. IC80estimates obtainedin vitrowere similar for PGE2inhibition (130.8±11 and 131.9±19 10−6 M, mean±s.d. for humans and rats, respectively), but slightly different for TXB2inhibition (103.9±15 and 151.4±40 10−6 M, mean±s.d. for humans and rats, respectively,P< 0.05). These differences, however, may not be biologically relevant.The results confirm the value of exposure–effect relationships determinedin vitroas a means to predict the pharmacological activityin vivo. This analysis also highlights the need to parameterise concentration–effect relationships in early drug development, as indicated by the estimates of IC80for PGE2and TXB2inhibition.British Journal of Pharmacology(2006)148, 396–404. doi:10.1038/sj.bjp.0706737
μ opioid and CB1 cannabinoid receptor interactions: reciprocal inhibition of receptor signaling and neuritogenesis
Authors: Rios Carl , Gomes Ivone , Devi Lakshmi A 
Published: May 2006

Several studies have described functional interactions between opioid and cannabinoid receptors; the underlying mechanism(s) have not been well explored. One possible mechanism is direct receptor–receptor interactions, as has been demonstrated for a number of G‐protein‐coupled receptors.
In order to investigate interactions between opioid and cannabinoid receptors, we epitope tagged μ, δ and κ opioid receptors with Renilla luciferase and CB1 cannabinoid or CCR5 chemokine receptors with yellow fluorescent protein and examined the extent of substrate hydrolysis induced bioluminescence resonance energy transfer (BRET) signal.
We find that coexpression of opioid receptors with cannabinoid receptors, but not with chemokine receptors, leads to a significant increase in the level of BRET signal, suggesting that the opioid–cannabinoid interactions are receptor specific.
In order to examine the implications of these interactions to signaling, we used GTPγS binding and mitogen‐activated protein kinase (MAPK) phosphorylation assays and examined the effect of receptor activation on signaling.
We find that the μ receptor‐mediated signaling is attenuated by the CB1 receptor agonist; this effect is reciprocal and is seen in heterologous cells and endogenous tissue expressing both receptors.
In order to explore the physiological consequences of this interaction, we examined the effect of receptor activation on the extent of Src and STAT3 phosphorylation and neuritogenesis in Neuro‐2A cells.
We find that the simultaneous activation of μ opioid and CB1 cannabinoid receptors leads to a significant attenuation of the response seen upon activation of individual receptors, implicating a role for receptor–receptor interactions in modulating neuritogenesis.

British Journal of Pharmacology (2006) 148, 387–395. doi:10.1038/sj.bjp.0706757
Activation of D2‐like receptors induces sympathetic climactic‐like responses in male and female anaesthetised rats
Authors: Stafford S A , Coote J H 
Published: May 2006

In anaesthetised male rats an intravenous (i.v.) injection ofp‐chloroamphetamine (PCA) produced a specific patterned bursting response in the sympathetic vas deferens nerve (VDN) that corresponds to ejaculation. In the present, study selective dopamine agonists and antagonists were used to investigate whether dopaminergic mechanisms influence the generation of this ejaculatory‐related response.Administration of a mixed D1/2receptor agonist (0.1–1.0 mg kg−1apomorphine i.v.) also evoked the characteristic bursting pattern responses in the VDN. Similar, but fewer, burst pattern responses could also be evoked by a selective D2/3receptor agonist (0.1–2.0 mg kg−1piribedil). Responses to 1.0 mg kg−1apomorphine were blocked by pretreatments with either 0.5 mg kg−1remoxipride (D2receptor antagonist) or 0.5 mg kg−1nafadotride (D3receptor antagonist), suggesting that D2‐like receptors were involved.Responses could not be evoked by i.v. injections of apomorphine (1.0 mg kg−1) in anaesthetised male rats with a midthoracic spinal section, indicating that activation of D2‐like receptors at supraspinal sites leads to an increase in the excitability of the lumbosacral pattern generator for ejaculation.In anaesthetised female rats a similar patterned bursting response occurred in the uterine nerve (UN) in response to apomorphine (0.5–2.0 mg kg−1 i.v.). Thus a common neural mechanism may regulate sexual climactic reflexes in both sexes.British Journal of Pharmacology(2006)148, 510–516. doi:10.1038/sj.bjp.0706763
Lipid‐laden macrophage index in healthy canines
Authors: Savchenko O. , Dhadwal A. K. , Pagala M. , Bala S. , Narwal S. , Huang R. , Vaynblat M. , Marcus M. , Kazachkov M. 
Published: May 2006

AbstractBackground The quantity of lipids in alveolar macrophages is used clinically as an indicator of aspiration, which is associated with increased lung inflammation. This is determined in the macrophages obtained from bronchoalveolar lavage (BAL) and is expressed as lipid‐laden macrophage index (LLMI). Although there is ample data on LLMI in human subjects, there is no published data pertaining to the baseline measures of the LLMI in canines, which are extensively used for experimental studies on gastroesophageal reflex (GER) and airway diseases. Primary aim of the present study was to collect data pertaining to the cytology and LLMI in BAL fluids obtained from healthy dogs.Materials and methods Eight dogs underwent a bronchoscopy with BAL collection, and esophageal pH monitoring to determine the reflux index (RI). The BAL fluid was processed and reviewed under a microscope to determine the proportions of the various cell types and the LLMI.Results The median RI among the subjects was found to be 0·6 (0·0, 1·2). The BAL cytology analysis showed 77·5% (71·0, 83·5) macrophages, 21·0 (13·0, 24·5) lymphocytes and 2·5 (1·5, 5·0) neutrophils. The median LLMI was found to be 156 (111, 208).Conclusions Although the differential cell counts in the dogs’ BAL fluid was comparable to that of other experimental animals and humans, the LLMI was distinctly higher than the corresponding value reported for other species. As LLMI is a valuable modality for evaluation of intrapulmonary pathophysiology, these data on LLMI can be used as a species‐specific standard for canine subjects used for experimental studies on GER and airway diseases.
Soluble CD40L in patients with morbid obesity: significant reduction after bariatric surgery
Authors: Schernthaner G.‐H. , Kopp H.‐P. , Krzyzanowska K. , Kriwanek S. , Koppensteiner R. , Schernthaner G. 
Published: May 2006

AbstractBackground  Morbid obesity is associated with increased cardiovascular morbidity and mortality. Recent studies suggest that soluble CD40 Ligand (sCD40L) may play a pathogenetic role in atherothrombotic complications in cardiovascular disease as well as in inflammation and thrombosis. As morbid obesity is closely associated with chronic inflammation and insulin resistance (IR), it was of interest to study sCD40L in patients with morbid obesity before and after massive weight loss induced by bariatric surgery.Patients and methods  A total of 34 patients (mean age 40 ± 12 years) with morbid obesity were studied before and 27·2 months after bariatric surgery. High sensitivity assays were used to measure concentrations of fasting sCD40L, monocyte‐chemoattractant‐protein‐1 (MCP‐1) and high‐sensitive C‐reactive protein (hsCRP). To investigate the associations of concentration changes of the parameters studied, differences between pre‐ and post‐operative data were assessed and tested by univariate and multivariate linear regression analysis.Results  After a mean weight loss of 33·1 ± 18·4 kg, circulating sCD40L decreased significantly from (3·7 ± 1·5) ng mL−1 to (2·2 ± 0·7) ng mL−1, (P < 0·001). The decline in sCD40L after weight loss correlated significantly with the decrease in fasting insulin, 2‐h insulin, HOMA insulin resistance (HOMA‐IR), triglycerides, and the inflammatory biomarkers MCP‐1 and hsCRP.Conclusions  We have shown a marked decrease in circulating sCD40L in association with an improvement of both insulin resistance and chronic inflammation in morbidly obese patients after bariatric surgery. As high sCD40L was shown to predict cardiovascular death and myocardial infarction in several prospective studies, the observed marked lowering of sCD40L might be of clinical relevance in morbidly obese patients.
The turnover of carbohydrate carbon in a cultivated soil estimated by 13C natural abundances
Authors: Derrien D. , Marol C. , Balabane M. , Balesdent J. 
Published: May 2006

SummaryUnderstanding the chemical composition of soil organic matter (SOM) requires the determination of the dynamics of each class of compounds. We measured the dynamics of carbon in neutral carbohydrates by use of natural 13C labelling in an experimental wheat and maize sequence extending over 23 years. The isotopic composition of individual neutral monosaccharides was determined in hydrolysed particle‐size fractions by gas chromatography/combustion/isotope ratio mass spectrometry (GC/C/IRMS) of trimethylsilyl (TMS) derivatives. The sensitivity in terms of 13C/12C ratios ranged between 1 and 2‰ depending on the monosaccharide. The age distribution of neutral sugar carbon was very similar to that of total soil carbon. Particulate organic matter (POM) was characterized by the predominance of glucose and xylose of vegetal origin. In POM > 200 µm, the mean age of sugar‐C (5 years) was slightly less than that of total carbon (7 years). Xylose was younger than glucose. The fine fraction 0–50 µm contained mainly glucose, arabinose, galactose, xylose, fucose and mannose, which had predominantly microbial origins. The mean age of carbohydrate carbon in the fraction 0–50 µm was between 60 and 100 years and was similar to that of total organic carbon (OC). No difference in the age of carbon between the individual monosaccharides was found. The POM fraction 50–200 µm had an intermediate signature and turnover. Considering the typical lability of carbohydrates, the relatively great age of carbohydrate carbon may be explained by physical or chemical protection from degradation, as well as by recycling of soil organic matter carbon by soil microbes.
Involving mental health service users in quality assurance
Authors: Weinstein Jenny 
Published: May 2006

AbstractObjective  This study compares the process and outcomes of two approaches to engaging mental health (MH) service users in the quality assurance (QA) process.Background  QA plays a significant role in health and care services, including those delivered in the voluntary sector. The importance of actively, rather than passively, involving service users in evaluation and service development has been increasingly recognized during the last decade.Design  This retrospective small‐scale study uses document analysis to compare two QA reviews of a MH Day Centre, one that took place in 1998 as a traditional inspection‐type event and one that took place in 2000 as a collaborative process with a user‐led QA agenda.Setting and participants  The project was undertaken with staff, volunteers and service users in a voluntary sector MH Day Centre.Intervention  The study compares the management, style, evaluation tools and service user responses for the two reviews; it considers staff perspectives and discusses the implications of a collaborative, user‐led QA process for service development.Results  The first traditional top–down inspection‐type QA event had less ownership from service users and staff and served the main purpose of demonstrating that services met organizational standards. The second review, undertaken collaboratively with a user‐led agenda focused on different priorities, evolving a new approach to seeking users’ views and achieving a higher response rate.Conclusions  Because both users and staff had participated in most aspects of the second review they were more willing to work together and action plan to improve the service. It is suggested that the process contributed to an evolving ethos of more effective quality improvement and user involvement within the organization.
Mortality predictions for colon and anorectal cancer for Ireland, 2003–17
Authors: O'Lorcain P. , Deady S. , Comber H. 
Published: May 2006

AbstractObjective  Colorectal cancer mortality predictions for Ireland are presented for all ages and for the age group 0–64 years.Methods  Log and log‐linear Poisson regression modelling was fitted to colorectal cancer mortality data for each year between 1950 and 2002 to predict average European age standardized mortality rates (EASMRs) per 100 000 person years (100 000 PY−1) and average numbers of deaths.Results  EASMRs for colon cancer are predicted to fall to 17.3 100 000 PY−1 (95%PI 14.4, 20.2) in men and to 8.4 100 000 PY−1 (95%PI 6.9, 10.2) in women by 2013–17. EASMRs for anorectal cancer are also predicted to fall to 8.0 100 000 PY−1 (95%PI 6.6, 9.5) in men and to 3.0 100 000 PY−1 (95%PI 2.3, 3.8) in women by this time. Truncated EASMRs for colon cancer for those aged between 0 and 64 years are predicted over the next 15 years to fall from their current levels to 4.4 100 000 PY−1 (95%PI 3.0, 5.8) in men and to 2.3 100 000 PY−1 (95%PI 1.5, 3.2) in women. For anorectal cancer, truncated EASMRs for those aged between 0 and 64 years are also predicted over the next 15 years to fall from their current levels to 2.9 100 000 PY−1 (95%PI 2.0, 3.8) in men and to 0.9 100 000 PY−1 (95%PI 0.4, 1.3) in women.Conclusions  Ireland currently has one of the highest colorectal mortality rates in the developed world but recent downward trends, the advent of new screening tests and well targeted public health promotion programmes may lead to further reductions.
Characterizing regime shifts in the marine environment
Authors: Lees Kathryn , Pitois Sophie , Scott Catherine , Frid Chris , Mackinson Steven 
Published: May 2006

AbstractRecent years have seen a plethora of studies reporting that ‘regime shifts’ have occurred in the North Atlantic and Pacific Oceans during the last century. In many cases, the criteria used to distinguish a regime shift have not been explicitly stated. In other cases, a formal definition has been proposed and the data set assessed against it. Developing a universal quantitative definition for identifying and distinguishing between purported climatic and ecological regime shifts has proved problematic as many authors have developed criteria that seem unique to the system under study. Consequently, they throw little light on the drivers of ecological regime shifts. Criteria used to define regime shifts are reviewed and on the basis of evidence from purported regime shifts, common characteristics in the speed and amplitude of the changes and the duration of quasi‐stable states are used to propose a more clearly defined set of criteria for defining climatic and ecological regime shifts. Causal drivers of regime shifts are explored using correlation analysis. Limitations of these methods are discussed.
Achieving Compliance when Legal Sanctions are Non‐deterrent*
Authors: Tyran Jean‐Robert , Feld Lars P. 
Published: May 2006

AbstractLaw backed by non‐deterrent sanctions (mild law) has been hypothesized to achieve compliance because of norm activation. We experimentally investigate the effects of mild law in the provision of public goods by comparing it to severe law (deterrent sanctions) and no law. The results show that exogenously imposing mild law does not achieve compliance, but compliance is much improved if mild law is endogenously chosen, i.e., self‐imposed. We show that voting for mild law induces expectations of cooperation, and that people tend to comply with the law if they expect many others to do so.