bluuebunny/crossref_metadata_2025 huggingface dataset:
Kinetics and mechanism of sodium N‐halo‐p‐toluenesulfonamides oxidation of diclofenac in alkaline medium
Authors: Puttaswamy  , Shubha J. P.
Published: October 2009

Diclofenac belongs to a class of drugs called nonsteroidal antiinflammatory drugs. The kinetics and mechanism of oxidation of diclofenac by sodium N‐halo‐p‐toluenesulfonamides viz., chloramine‐T and bromamine‐T in NaOH medium have been studied at 293 K. Under comparable experimental conditions, reactions with both the oxidants follow identical kinetics with a first‐order dependence on each [oxidant]o and a fractional‐order dependence on each [diclofenac]o and [NaOH]. Activation parameters have been computed. N‐hydroxyldiclofenac is identified as the oxidation product of diclofenac. Michaelis‐Menten type of mechanism has been suggested. The rate of oxidation of diclofenac is about four‐fold faster with bromamine‐T when compared with chloramine‐T. This may be attributed to the difference in electrophilicities of Cl+ and Br+ ions and also the van der Waal's radii of chlorine and bromine. Plausible mechanism and related rate law have been designed for the observed kinetics. © 2009 American Institute of Chemical Engineers AIChE J, 2009
Modeling heterogeneous downward dense gas‐particle flows
Authors: Andreux Regis , Hémati Mehrdji
Published: October 2009

A novel approach is proposed to model heterogeneous downward dense gas‐particle flows. The homogeneous behavior of the flow is described by the mass and momentum transport equations of the gas and particulate phases solved using a mono‐dimension finite volume method on staggered grids. The heterogeneous features of the flow are predicted simultaneously using the bubble‐emulsion formalism. The gas compressibility is taken into consideration. The model is supplemented with a new correlation to account for the wall‐particle frictional effects. The predictions are compared with the vertical profiles of pressure and the amount of gas that flows up and down two standpipes and a cyclone dipleg of an industrial fluid catalytic cracking unit and of a cold small‐scale circulating fluidized bed. The trends are well predicted. The model gives further information and is thus an innovative starting point for downward dense gas‐particle flow hydrodynamics investigation. © 2009 American Institute of Chemical Engineers AIChE J, 2010
Flow visualization and solute transport in evaporating droplets
Authors: Jaijus Pallippadan Johny , Singh Anugrah
Published: October 2009

We have investigated the velocity field and associated particle transport in an evaporating water droplet using the tool of particle image velocimetry. Experiments were performed where single droplets containing polystyrene particles were exposed to evaporation. Our method applicable to droplets confined between two parallel surfaces differs from the conventional PIV techniques on the 3D droplets and removes many of the limitations associated with mapping of velocity field. To avoid refraction of light at the droplet surface we have studied the motion in a disc‐shaped droplet which was prepared by confining the drop between two nonwetting surfaces and its base is pinned to a wetting surface. Experiments were carried out under the conditions where Marangoni flow creates convection cells and finally leading to deposition of particles toward the pinned edge. The contact angle, height of the droplet, velocity field, and the particle concentration inside the evaporating droplet was measured and its time evolution was recorded. © 2009 American Institute of Chemical Engineers AIChE J, 56: 1674–1683, 2010
Excessive longitudinal FEV1 decline and risks to future health: A case–control study
Authors: Wang Mei Lin , Avashia Bipin H. , Wood John , Petsonk Edward L.
Published: October 2009

Background

Accelerated loss of forced expiratory volume in 1 s (FEV1) in an individual is considered an indicator of developing lung disease.

Methods

We investigated longitudinal FEV1 slopes, calculated by simple linear regression, and adverse health outcomes after 10–30 years, among 1,428 chemical plant workers. Cases were defined by FEV1 slopes below 5th percentile values for the cohort. Cases were matched with controls (107 pairs) for race, gender, smoking status, year of birth, age, height, and calendar year at first test. Matched pair statistics were used for comparisons.

Results

Cases had a higher proportion, compared to controls, of diagnosis of COPD or emphysema (17.8% vs. 1.9%, P = 0.0002), medication use for respiratory diseases (24.3% vs. 4.7%, P < 0.0001), dyspnea (15% vs. 3.7%, P = 0.0042), and wheezing or rhonchi on examination (10.3% vs. 1.9%, P = 0.0225).

Conclusions

Chemical plant workers who experienced accelerated FEV1 declines experienced four to nine times as many adverse health conditions over 10–30 years. Am. J. Ind. Med. 52:909–915, 2009. © 2009 Wiley‐Liss, Inc.
Assessing the contribution of working conditions to socioeconomic disparities in health: A commentary
Authors: Landsbergis Paul A.
Published: October 2009

Introduction

Occupational health researchers can play a pivotal role in increasing our understanding of the role of physical and psychosocial working conditions in producing socioeconomic health disparities and trends of increasing socioeconomic health disparities, contributing to interventions to reduce such disparities, and helping to improve public education materials on this subject. However, a number of methodological challenges in this field need to be considered.

Methods

Commentary, including a review of selected studies.

Results/Conclusion

Research needs to be guided by models of the associations between social (socioeconomic position (SEP), race/ethnicity, immigration status, and gender) and occupational variables and health, to avoid inappropriate control for confounding, and to specify causal pathways (mediation) and interaction effects. Different approaches to the theory and measurement of SEP also need to be tested. Am. J. Ind. Med. 53:95–103 2010. © 2009 Wiley‐Liss, Inc.
Use of film for community conservation education in primate habitat countries
Authors: Wright Juliet H.
Published: October 2009

Wildlife films have become an integral part of broadcast schedules in developed countries. As charismatic mammals, primates are frequently the focus of the wildlife filmmaker's attention. Yet the people watching these films tend to be situated on different continents from the species concerned. Communities in primate habitat countries are unlikely to ever have the opportunity to gain such an insight into the species with which they share their environment and the threats these species face. Over recent years, an increasing number of filmmakers are realizing the importance of reaching local audiences through film for conservation purposes. Published research on the impact films can have on eliciting conservation action in developed or developing countries is minimal. The perceived power of wildlife films to change attitudes and behaviors is largely based on anecdotal evidence. This commentary highlights the on‐going debate regarding the conservation impact of wildlife films, discusses the work of various NGOs that are using films for conservation purposes in habitat countries and makes recommendations with regards to the film type and situational context necessary to promote positive conservation behavior in communities. Bespoke conservation films convey a specific message to a specific audience at a particular point in time. If produced by trained local conservation educators, these films are likely to have the biggest impact. Films must be shown as a part of a conservation education program that incorporates other education materials and group discussion so that the desired conservation message can be clearly defined and reinforced. Audiences should not be made to feel disillusioned, depressed or vilified by the content of wildlife films. Rather films should increase support for conservation and empower people to act. Once enthusiasm for specific conservation actions has been created, practical assistance and follow‐up support is necessary to ensure ideas are implemented. Am. J. Primatol. 72:462–466, 2010. © 2009 Wiley‐Liss, Inc.
Effects of habitat fragmentation and disturbance on howler monkeys: a review
Authors: Arroyo‐Rodríguez Víctor , Dias Pedro Américo D.
Published: October 2009

We examined the literature on the effects of habitat fragmentation and disturbance on howler monkeys (genusAlouatta) to (1) identify different threats that may affect howlers in fragmented landscapes; (2) review specific predictions developed in fragmentation theory and (3) identify the empirical evidence supporting these predictions. Although howlers are known for their ability to persist in both conserved and disturbed conditions, we found evidence that they are negatively affected by high levels of habitat loss, fragmentation and degradation. Patch size appears to be the main factor constraining populations in fragmented habitats, probably because patch size is positively related to food availability, and negatively related to anthropogenic pressures, physiological stress and parasite loads. Patch isolation is not a strong predictor of either patch occupancy or population size in howlers, a result that may be related to the ability of howlers to move among forest patches. Thus, we propose that it is probable that habitat loss has larger consistent negative effects on howler populations than habitat fragmentation per se. In general, food availability decreases with patch size, not only due to habitat loss, but also because the density of big trees, plant species richness and howlers' home range size are lower in smaller patches, where howlers' population densities are commonly higher. However, it is unclear which vegetation attributes have the biggest influence on howler populations. Similarly, our knowledge is still limited concerning the effects of postfragmentation threats (e.g. hunting and logging) on howlers living in forest patches, and how several endogenous threats (e.g. genetic diversity, physiological stress, and parasitism) affect the distribution, population structure and persistence of howlers. More long‐term studies with comparable methods are necessary to quantify some of the patterns discussed in this review, and determine through meta‐analyses whether there are significant inter‐specific differences in species' responses to habitat loss and fragmentation. Am. J. Primatol. 72:1–16, 2010. © 2009 Wiley‐Liss, Inc.
The effects of extreme seasonality of climate and day length on the activity budget and diet of semi‐commensal chacma baboons (Papio ursinus) in the Cape Peninsula of South Africa
Authors: van Doorn A.C. , O'Riain M.J. , Swedell L.
Published: October 2009

We examined the effects of extreme seasonality on the activity budget and diet of wild chacma baboons with access to a high‐quality, human‐derived food source. The Cape Peninsula of South Africa is unusual among nonhuman primate habitats due to its seasonal extremes in day length and climate. Winter days are markedly shorter and colder than summer days but have higher rainfall and higher primary production of annually flowering plants. This combination of fewer daylight hours but higher rainfall is substantially different from the ecological constraints faced by both equatorial baboon populations and those living in temperate climates with summer rainfall. We sought to understand how these seasonal differences affect time budgets of food‐enhanced troops in comparison to both other food‐enhanced troops and wild foraging troops at similar latitudes. Our results revealed significant seasonal differences in activity budget and diet, a finding that contrasts with other baboon populations with access to high‐return anthropogenic foods. Similar to nonprovisioned troops at similar latitudes, troop members spent more time feeding, socializing, and traveling during the long summer days compared to the short winter days, and proportionately more time feeding and less time resting in summer compared to winter. Summer diets consisted mainly of fynbos and nonindigenous foods, whereas winter diets were dominated by annually flowering plants (mainly grasses) and ostrich pellets raided from a nearby ostrich farm. In this case, food enhancement may have effectively exaggerated seasonal differences in activity budgets by providing access to a high‐return food (ostrich pellets) that was spatially and temporally coincident with abundant winter fallback foods (grasses). The frequent use of both alien vegetation and high‐return, human‐derived foods highlights the dietary flexibility of baboons as a key element of their overall success in rapidly transforming environments such as the South African Cape Peninsula. Am. J. Primatol. 72:104–112, 2010. © 2009 Wiley‐Liss, Inc.
Severe embryolethality of artesunate related to pharmacokinetics following intravenous and intramuscular doses in pregnant rats
Authors: Li Qigui , Si Yuanzheng , Xie Lisa , Zhang Jing , Weina Peter
Published: October 2009

Artesunate (AS), a rapid, effective, and safe antimalarial drug, has been used for the treatment of malaria for decades. However, severe embryolethality was found for injectable AS in pregnant animals. In the present study, pregnant rats were selected and dosed with AS (GMP product) intravenously (IV) and intramuscularly (IM) at varied doses daily for 13 days from gestation day (GD) 6 to 18. In addition, a toxic dose of 1.2 mg/kg/day was subsequently tested in the GD 6–10, GD 11–15, and GD 16–20 periods of rat pregnancy. A pharmacokinetic study was also conducted to evaluate the bioavailability of AS following the IM administrations. Results showed that no significant adverse effects were found in maternal rats. All of the fetuses were either damaged or reabsorbed by placentas in treated pregnant rats, but doses did not show an adverse effect at 0.4 and 0.5 mg/kg after IV and IM administrations, respectively. The survival rate of fetuses is dose‐dependent and the 50% fetus re‐absorption doses (FRD50) were 0.61 and 0.60 mg/kg following the IV and IM, respectively. The most drug‐sensitive period, showing severe embryotoxicity, was between GD 11 and 15 for injectable AS. When calculated with total concentrations of AS and dihydroartemisinin, an active metabolite of AS, the bioavailability of 97.8% after intramuscular injection was fulfilled to a bioequivalence of that in intravenous treatment. The fact that injectable AS exhibited severe embryolethality after both IV and IM injections seems related to their comparable pharmacokinetic profiles that indicate high peak concentrations in pregnant animals. Birth Defects Res (Part B) 86:385–393, 2009. Published 2009 Wiley‐Liss, Inc.
Preventive effect of piperonyl butoxide on cyclophosphamide‐induced teratogenesis in rats
Authors: Park Dongsun , Kim Sunghyun , Kang Hyomin , Oh Jiyoung , Jang Ja Young , Shin Sunhee , Kim Tae Kyun , Choi Young Jin , Lee Sun Hee , Kim Ki‐Yon , Joo Seong Soo , Kim Yun‐Bae
Published: October 2009

BACKGROUND:Cyclophosphamide induces fetal defects through metabolic activation by cytochrome P‐450 monooxygenases (CYP). The effects of piperonyl butoxide (PBO), a CYP inhibitor, on the fetal development and external, visceral, and skeletal abnormalities induced by cyclophosphamide were investigated in rats.METHODS:Pregnant rats were daily administered PBO (400 mg/kg) by gavage for 7 days (the 6th to 12th day of gestation), and intraperitoneally administered with cyclophosphamide (12 mg/kg) 4 h after the final treatment. On the 20th day of gestation, maternal and fetal abnormalities were determined by Cesarean section.RESULTS:Cyclophosphamide reduced fetal body weights by 30–40% without increasing resorption or death. In addition, it induced malformations in live fetuses: 100, 98, and 98.2% of the external (head and limb defects), visceral (cerebroventricular dilatation, cleft palate, and renal pelvic/ureteric dilatation), and skeletal (acrania, vertebral/costal malformations, and delayed ossification) abnormalities, respectively. The pre‐treatment of PBO greatly decreased mRNA expression and activity of hepatic CYP2B, which metabolizes cyclophosphamide into teratogenic acrolein and cytotoxic phosphoramide mustard. Moreover, PBO remarkably attenuated cyclophosphamide‐induced body weight loss and abnormalities of fetuses; score 3.57 versus 1.87 for exencephaly, 75.5% versus 42.5% for limb defects, 65.3% versus 22% for cerebroventricular dilatation, 59.2% versus 5.1% for cleft palate, score 1.28 versus 0.93 for renal pelvic/ureteric dilatation, 71.9–82.5% versus 23–45.9% for vertebral/costal malformations, and 84.2% versus 57.4% for delayed ossification in cyclophosphamide alone and PBO co‐administration groups.CONCLUSIONS:These results suggest that repeated treatment with PBO may improve cyclophosphamide‐induced body weight loss and malformations of fetuses by down‐regulating CYP2B.Birth Defects Res (Part B)86:402–408, 2009. © 2009 Wiley‐Liss, Inc.
Anatomy in the Third Reich: An outline, part 1. National Socialist politics, anatomical institutions, and anatomists
Authors: Hildebrandt S.
Published: October 2009

Although it is known that anatomists working in Germany during the Third Reich have used bodies of victims of the National Socialist (NS) regime for dissection and research, a comprehensive history of the anatomy in the Third Reich has not yet been written. Recent studies of the history of German anatomy departments during this time period provide material for a first outline of the subject matter. A historical review can help with the formulation of ethical foundations in modern anatomy. From the outset, the NS regime sought to reorganize German universities according to NS leadership principles and political goals. Many German academics, especially physicians and among them anatomists, followed these intentions with a voluntary “self‐alignment” that encompassed their professional actions as well as their ethics. Currently, political information is available for 111 of 178 anatomists. Thirty‐eight of the anatomists were dismissed for racial or political reasons, among them 10 chairmen of anatomy, whereas 35 of the anatomists were politically active members of one of the NS organizations. Over 70% of the chairmen of anatomical departments in the time period from 1941 to 1944 were members of NS organizations. Anatomists, as so many other physicians and academics, belonged both, to the group of victims of the regime, i.e., those being dismissed from their positions for racial and political reasons, and to the group of supporters and sometimes active perpetrators of NS policies. Clin. Anat. 22:883–893, 2009. © 2009 Wiley‐Liss, Inc.
Anatomy in the Third Reich: An outline, part 2. Bodies for anatomy and related medical disciplines
Authors: Hildebrandt S.
Published: October 2009

All anatomical departments of German universities used bodies of the executed and other victims of the National Socialist (NS) regime for their work. Many of these victims had been executed in prisons and were members of the German political opposition; others had perished in camps for prisoners of war or forced laborers and concentration camps, and were of various European and other descent. Anatomists generally welcomed the increased influx of “fresh material” for purposes of research and education of the growing numbers of medical students. No anatomist is known to have refused work with the bodies of NS victims. Other medical disciplines also made use of these bodies, among them were racial hygienists and neuropathologists. In the late 19th and early 20th century, the fields of anatomy, physical anthropology, and racial hygiene (eugenics) were closely related in their subject matter. Anatomists were involved in the biological foundation of racial hygiene, most prominently among them Eugen Fischer. The discipline was established as part of the medical curriculum after 1920. Racial hygiene became the scientific justification for NS policies that led to racial discrimination, involuntary sterilization and ultimately mass murder. Anatomists taught racial hygiene throughout the Third Reich and did research in this area. Some were actively involved in NS policies through propaganda and evaluations for the so‐called Genetic Health Courts, whereas others became victims of their own science in that they were dismissed for racial reasons. 22:894–905, 2009. © 2009 Wiley‐Liss, Inc.
Prognostic value of symptom burden for overall survival in patients receiving chemotherapy for advanced nonsmall cell lung cancer
Authors: Wang Xin Shelley , Shi Qiuling , Lu Charles , Basch Ethan M. , Johnson Valen E. , Mendoza Tito R. , Mobley Gary M. , Cleeland Charles S.
Published: October 2009

BACKGROUND:

Patient–reported outcomes have shown independent prognostic value for patients with nonsmall cell lung cancer (NSCLC). However, translating patient‐reported outcomes into useful prognostic information for individual patients has been problematic.

METHODS:

A total of 94 patients with advanced NSCLC and an Eastern Cooperative Oncology Group performance status (PS) of 0 to 2 who qualified for chemotherapy rated symptom severity using the M. D. Anderson Symptom Inventory before and after their first chemotherapy cycle. Prognostic values of baseline symptoms and changes in symptom severity were examined by Cox proportional hazards models.

RESULTS:

In multivariate analysis, controlled for demographic and other factors, baseline coughing rated ≥4 independently predicted significantly higher risk for shorter survival (hazards ratio [HR], 8.69; P < .0001). Patients with coughing ≥4 and a PS of 2 were more likely to have shorter survival (HR, 20.6; P < .0001) than patients with coughing <4 and a PS of 0 to 1. A 1–point or greater increase in severity of fatigue (P < .05), shortness of breath, or poor appetite (P < .01) from baseline to the end of the first chemotherapy cycle was also found to be independently associated with higher risk for poor survival.

CONCLUSIONS:

An increased risk for shorter survival was indicated by moderate to severe coughing at baseline or by increased fatigue or shortness of breath during the first chemotherapy cycle in patients with advanced NSCLC. Although cross–validation is needed, these data suggest that an individual patient's symptom severity scores, quickly obtainable in the clinic, might contribute clinically useful information for treatment planning for that patient. Cancer 2010. © 2010 American Cancer Society.
Premalignant and malignant cells in sputum from lung cancer patients
Authors: Neumann Thomas , Meyer Michael , Patten Florence W. , Johnson Fred L. , Erozan Yener S. , Frable William J. , Gupta Prabodh K. , Zaman Muhammad B. , Nelson Alan C.
Published: October 2009

BACKGROUND:

The objective of this study was to assess the frequency of premalignant and malignant cells in sputum from patients with lung cancer and to measure the dependence of these cells on cancer stage, histologic type, tumor size, and tumor location.

METHODS:

This analysis included 444 patients with lung cancer. First, all patients were asked to produce sputum spontaneously; then, they underwent sputum induction. Slide preparations of the sputa were screened for the presence of abnormal cells.

RESULTS:

Of all patients with lung cancer who had produced adequate specimens, 74.6% had sputum that was positive for premalignant or worse cells, whereas 48.7% had sputum that was positive for malignant cells alone. Surprisingly, the presence of premalignant or worse cells in sputum depended only moderately on disease stage (82.9% of stage IV cancers vs 65.9% of stage I cancers), tumor size (78.6% of tumors >2 cm vs 64.7% of tumors ≤2 cm), and location (83.3% of central lesions vs 68% of peripheral lesions) and was found to be independent of histologic tumor type (78.4% of squamous cell carcinomas vs 71.5% of adenocarcinomas, 74.5% of small cell carcinomas, and 75% of large cell carcinomas).

CONCLUSIONS:

The findings of the current study suggested the important potential of sputum cytology for lung cancer detection and risk assessment across all stages, histologic types, tumor sizes, and locations. However, the high sensitivities in this study were achieved with a level of scrutiny not feasible in the laboratory routine. The diagnostic potential of sputum cytology may be exploited better through the standardization and automation of sputum preparation and analysis. Cancer (Cancer Cytopathol) 2009. © 2009 American Cancer Society.
Two novel neuropeptides in innervation of the salivary glands of the black‐legged tick, Ixodes scapularis: Myoinhibitory peptide and SIFamide
Authors: Šimo Ladislav , Žitňan Dušan , Park Yoonseong
Published: October 2009

The peptidergic signaling system is an ancient cell–cell communication mechanism that is involved in numerous behavioral and physiological events in multicellular organisms. We identified two novel neuropeptides in the neuronal projections innervating the salivary glands of the black‐legged tick, Ixodes scapularis (Say, 1821). Myoinhibitory peptide (MIP) and SIFamide immunoreactivities were colocalized in the protocerebral cells and their projections terminating on specific cells of salivary gland acini (types II and III). Immunoreactive substances were identified by matrix‐assisted laser desorption/ionization‐time of flight (MALDI‐TOF) analysis: a 1,321.6‐Da peptide with the sequence typical for MIP (ASDWNRLSGMWamide) and a 1,395.7‐Da SIFamide (AYRKPPFNGSIFamide), which are highly conserved among arthropods. Genes encoding these peptides were identified in the available Ixodes genome and expressed sequence tag (EST) database. In addition, the cDNA encoding the MIP prepropeptide was isolated by rapid amplification of cDNA ends (RACE). In this report, we describe the anatomical structure of specific central neurons innervating salivary gland acini and identify different neuropeptides and their precursors expressed by these neurons. Our data provide evidence for neural control of salivary gland by MIP and SIFamide from the synganglion, thus lending a basis for functional studies of these two distinct classes of neuropeptides. J. Comp. Neurol. 517:551–563, 2009. © 2009 Wiley‐Liss, Inc.
Observation and analysis of the multicore performance impact on scientific applications
Authors: Simon Tyler A. , McGalliard James
Published: October 2009

With the proliferation of large multicore high‐performance computing systems, application performance is often negatively affected. This paper provides benchmark results for a representative workload from the Department of Defense High‐performance Computing Modernization Program. The tests were run on a Cray XT‐3 and XT‐4, which use dual‐ and quad‐core AMD Opteron microprocessors. We use a combination of synthetic kernel and application benchmarks to examine the cache performance, MPI task placement strategies and compiler optimizations. Our benchmarks show performance behavior similar to that reported in other studies and sites. Dual‐ and quad‐core tests show a run‐time performance penalty compared with single‐core runs on the same systems. We attribute this performance degradation to a combination of L1 to main memory contention and task placement within the application. Copyright © 2009 John Wiley & Sons, Ltd.
Detecting misbehaving units on computational grids
Authors: Martins Felipe S. , Andrade Rossana M. , dos Santos Aldri L. , Schulze Bruno , de Souza José N.
Published: October 2009

Computational grids are characterized by the collaborative work among environment devices. Further, grid applications have been built based on reputation solutions. However, those applications can suffer due to attacks from malicious nodes. These nodes may not only corrupt the result from processed jobs, but also intentionally acquire a good reputation so as to obtain privileges to damage other nodes. In order to detect and isolate these malicious nodes (known as intelligent cheating nodes) from a P2P grid computing, this work proposes a system‐level diagnosis model, using a strategy based on voting and honeypots. The model is evaluated by means of scenarios that take into account different percentages of malicious and cheating nodes. Achieved results show the robustness and efficiency of our diagnosis model, once all cheating nodes can be detected, with an accuracy of 99.4% of jobs being correctly processed. Furthermore, a graphical user interface is implemented for visualizing the simulations. Copyright © 2009 John Wiley & Sons, Ltd.
Theoretical Study on Hydrogen‐Bond Effects in IR Spectra of High‐ and Low‐Temperature Phases of Nitric Acid Dihydrate
Authors: Martín‐Llorente Beatriz , Fernández‐Torre Delia , Escribano Rafael
Published: October 2009

The low‐ and high‐temperature phases (α and β, respectively) of solid nitric acid dihydrate (NAD) are studied in depth by DFT methods. Each phase contains two types of complex structures (H3O+)⋅(H2O), designated A and B, with different hydrogen‐bonding (HB) characteristics. The theoretical study reveals that type A complexes are weakly bound and could be described as (H3O)+ and H2O aggregates, with decoupled vibrational modes, whereas in type B structures the proton is situated close to the centre of the O⋅⋅⋅O bond and induces strong vibrational coupling. The proton‐transfer mode is predicted at quite different wavenumbers in each complex, which provides an important differentiating spectral feature, together with splitting of some bands in β‐NAD. Theoretical spectra are estimated by using two GGA parameterizations, namely, PBE and BLYP. The potential‐energy surface for each type of HB in NAD is also studied, as is the spectral influence of displacement of the shared H atom along the OO bond. The results are compared to literature infrared spectra recorded by different techniques, namely, transmission and reflection–absorption, with both normal and tilted incident radiation. This work provides a thorough assignment of the observed spectra, and predictions for some spectra not yet available. The usefulness of high‐level theoretical calculations as performed herein to discriminate between two phases of a solid crystal is thus evidenced.
Facile and Reproducible Synthesis of Nanostructured Colloidal ZnO Nanoparticles from Zinc Acetylacetonate: Effect of Experimental Parameters and Mechanistic Investigations
Authors: Famengo Alessia , Anantharaman Sankaran , Ischia Gloria , Causin Valerio , Natile Marta Maria , Maccato Chiara , Tondello Eugenio , Bertagnolli Helmut , Gross Silvia
Published: October 2009

A facile and reproducible route to nanostructured colloidal ZnO nanoparticles was developed by controlled hydrolysis and condensation of zinc acetylacetonate in alkaline conditions. By reaction of an ethanolic solution of Zn(acac)2with NaOH in a 1:2 molar ratio, after reflux, ZnO spherical nanoparticles were obtained that displayed a homogeneous size distribution; particle diameters ranged from 6 to 10 nm, as evidenced by transmission electron microscopy (TEM) analysis. The same reaction was carried out also in water, glycerol and 1,2‐propanediol, to investigate the effect of the solvent viscosity and dielectric constant on the final features of the obtained material. Irrespective of the nature of the solvent, X‐ray diffraction (XRD) analysis shows the formation ofhexagonal ZnO, whereas the presence of residual unreacted Zn(acac)2could be ruled out. Indeed, different particle sizes and very different morphologies were obtained. Also the reflux step was shown to be a key factor in avoiding the fast precipitation of a floc and achieving a pure compound, which was isolated and thoroughly characterised. The composition of the obtained ZnO was determined by elemental analysis, X‐ray photoelectron spectroscopy (XPS) and thermogravimetric analysis (TGA), showing the formation of pure ZnO. IR spectroscopy evidenced the presence of adsorbed organic ligands on the colloid surfaces. Diffuse reflectance infrared Fourier transform spectroscopy (DRIFT) revealed the presence of medium‐ to high‐strength acidic sites on the ZnO surface. To gain a deeper insight into the formation mechanisms of these nanostructures, time‐resolved UV/Vis and XAS studies were performed on the ethanol solution used for the synthesis of the oxide and also on the solid specimen, obtained after the refluxing step. No remarkable changes could be evidenced in the solution after the addition of an understoichiometric amount of NaOH, but the growth of the ZnO nanoparticles could be followed by UV/Vis spectra. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009)
Origin of the Paramagnetic Properties of the Mixed‐Valence Polyoxometalate [GeV14O40]8– Reduced by Two Electrons: Wave Function Theory and Model Hamiltonian Calculations
Authors: Suaud N. , Masaro Y. , Coronado E. , Clemente‐Juan J. M. , Guihéry N.
Published: October 2009

The aim of the work is to give an explanation of the magnetic properties of a mixed‐valence [GeV14O40]8– polyoxometalate reduced by two electrons, which, in contrast to what happens in other two‐electron‐reduced polyoxometalates, does not show any magnetic coupling between the two unpaired electrons. For this purpose, a quantitative evaluation of the microscopic electronic parameters (electron transfer, magnetic coupling, magnetic orbital energy, and Coulomb repulsion) of the mixed‐valence polyoxometalate cluster is performed. The parameters are extracted from valence‐spectroscopy large configuration interaction (CI) calculations on embedded fragments. Then, these parameters are used in an extended t‐J model Hamiltonian suited to model the properties of the whole anion. The analysis of the wave functions of the lowest singlet and triplet states and of the microscopic parameters emphasizes that the electron delocalization in this mixed‐valence cluster is such that each unpaired electron is almost trapped in a different half of the polyoxovanadate, thus disabling any exchange interaction between them.(© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009)
Pd‐Catalyzed Reactions of Allenylphosphonates and Related Allenes with Functionalized 2‐Iodophenols, 2‐Iodobenzoic Acid, and 2‐Iodobenzyl Alcohol Leading to Functionalized Benzofurans, Isocoumarins, and Benzopyrans
Authors: Pavan M. Phani , Chakravarty Manab , Kumara Swamy K. C.
Published: October 2009

Regioselective, palladium‐catalyzed coupling reactions of allenylphosphonates (OCH2CMe2CH2O)P(O)CH=C=CRR′ [R, R′ = H (1a), R = H, R′ = Me (1b), R = R′ = Me (1c)] and phenyl allenes PhCH=C=CR2 [R = H (2a), Me (2b)] with functionalized iodophenols (in PEG‐400), 2‐iodobenzoic acid, and 2‐iodobenzyl alcohol are investigated. Benzofurans with free aldehyde functionalities are formed in high yields (1H/31P NMR) in reactions by using functionalized iodophenols, essentially as single isomers. The synthetic potential of these products possessing an aldehyde functionality is demonstrated by isolating a compound with the skeleton of Obovaten and many other 2,3,5,7‐tetrasubstituted benzofurans. From the reaction of 2‐iodophenol and PdII(OAc)2/PAr3, isolation and structural characterization of the (hydroxy)aryl phosphane oxides (Ar)2P(O)(C6H4‐2‐OH) (Ar = Ph, 4‐MeOC6H4) that suggests the P–aryl to Pd–aryl bond exchange,is described. An interesting structural problem related to the formation/crystallization of benzofurans is also highlighted. The reaction of allenes with iodobenzyl alcohol or iodobenzoic acid led to benzopyrans or isocoumarins (isochromanones), respectively, as single isomers in good to excellent yields. The reaction of 3‐methylbuta‐1,2‐dienyl acetate with 2‐iodobenzoic acid led to a novel acetic acid elimination product along with the expected isocoumarin. The structures of key compounds are confirmed by X‐ray crystallography. These results establish that in the formation of benzofurans or benzopyrans, [β,γ] attack on the allene is preferred except in the case of PhC=C=CH2, where [β,α] attack is observed. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009)
The influence of gender, social roles, and facial appearance on perceived emotionality
Authors: Hess Ursula , Thibault Pascal , Adams Reginal B. , Kleck Robert E.
Published: October 2009

One of the most pervasive gender stereotypes in Western culture concerns expectations regarding men's and women's emotionality. Whereas men are expected to be anger prone, women are expected to smile more. At the same time, men are generally perceived as more facially dominant and facially dominant individuals are expected to show more anger. That is, both facial appearance and social role expectations would lead observers to expect men to show more anger. The present research had the goal to disentangle the unique contribution of these two factors. As it is impossible in our society to fully untangle the influence of these factors since they are highly confounded, we created an alien society where these factors could be unconfounded. In this alien world, Deluvia, child rearing is exclusively assumed by a third gender, the caregiver, whereas men and women share the same social roles. The facial appearance of the Deluvians was varied along the dominance continuum. The results showed that facially dominant Deluvians, regardless of gender, were expected to show more anger, disgust, and contempt and less happiness, fear, sadness, and surprise. Also, the nurturing caregivers were expected to show less anger, contempt, and disgust as well as more fear, sadness, and surprise, regardless of facial appearance. No effect of gender per se on perceived emotionality was found. Copyright © 2009 John Wiley & Sons, Ltd.
Obsessive compulsive disorder as a cause of atypical eating disorder: a case report
Authors: Garcia Frederico Duarte , Houy‐Durand Emmanuelle , Thibaut Florence , Dechelotte Pierre
Published: October 2009

Objective

To describe a case of an atypical eating disorder with a diagnosis of obsessive‐compulsive disorder and discuss the phenomenological and neurobiological aspects links between the disorders.

Case

a 20‐year‐old Caucasian woman presented with obsessive‐compulsive disorder followed by altered eating habits with major weight loss and amenorrhea. The medical workup, treatment and outcome are described. Using cognitive‐behavioural therapy, clomipramine and enteral nutrition, weight gain and disappearance of restrictive and obsessive‐compulsive behaviours were obtained.

Conclusion

Available evidence in the literature suggests a continuum in eating disorder and obsessive compulsive disorder. Our case illustrates that an obsessive‐compulsive disorder may precede or precipitate the development of an eating disorder and highlights the importance of a precise differential diagnosis in eating disorders clinics. Copyright © 2009 John Wiley & Sons, Ltd and Eating Disorders Association.
Biological effects of a maternal ED on pregnancy and foetal development: a review
Authors: Micali Nadia , Treasure Janet
Published: October 2009

The aim of this paper was to review the literature on the biological effects of a maternal eating disorder (ED) (and relevant comorbidities) in pregnancy on mothers and in particular on the foetus. We also aimed to highlight possible mechanisms of risk for long‐term consequences in the offspring. Relevant literature was searched for using PubMed, PsychInfo and Google Scholar and manually through relevant research papers. The consequences of maternal EDs in pregnancy on EDs symptoms, psychopathology and perinatal outcomes are discussed. A developmental model of possible risk mechanisms for adverse long‐term nutritional and psychopathological outcomes in the offspring is proposed. Maternal EDs during pregnancy are likely to have important long‐term biological effects on the foetus. Further research needs to clarify potential biological risk mechanisms highlighted in this review. Copyright © 2009 John Wiley & Sons, Ltd and Eating Disorders Association.
Application of differential evolution algorithm for optimal location and parameters setting of UPFC considering power system security
Authors: Shaheen Husam I. , Rashed Ghamgeen I. , Cheng S. J.
Published: October 2009

Unified power flow controller (UPFC) is one of the most effective flexible AC transmission systems (FACTS) devices for enhancing power system security. However, to what extent the performance of UPFC can be brought out, it highly depends upon the location and parameters setting of this device in the system. This paper presents an approach based on evolutionary algorithms (EAs) techniques to find out the optimal placement and settings of UPFC for enhancing power system security under single line contingencies (N‐1 contingency). Firstly, we perform a contingency analysis and ranking process to determine the most severe line outage contingencies considering line overloads and bus voltage limit violations as a performance index. Secondly, we apply an evolutionary optimization technique, namely: differential evolution (DE) to find out the optimal location and parameters setting of UPFC under the determined contingency scenarios. To verify our proposed approach and for comparison purposes, we perform simulations on an IEEE 14‐bus and an IEEE 30‐bus power systems. The results we have obtained indicate that DE is an easy to use, fast, and robust optimization technique compared with genetic algorithm (GA). Installing UPFC in the optimal location determined by DE can significantly enhance the security of power system by eliminating or minimizing the overloaded lines and the bus voltage limit violations. Copyright © 2008 John Wiley & Sons, Ltd.
Current awareness in geriatric psychiatry
Authors:   John Wiley & Sons, Ltd.
Published: October 2009

In order to keep subscribers up‐to‐date with the latest developments in their field, John Wiley & Sons are providing a current awareness service in each issue of the journal. The bibliography contains newly published material in the field of geriatric psychiatry. Each bibliography is divided into 9 sections: 1 Reviews; 2 General; 3 Assessment; 4 Epidemiology; 5 Therapy; 6 Care; 7 Dementia; 8 Depression; 9 Psychology. Within each section, articles are listed in alphabetical order with respect to author. If, in the preceding period, no publications are located relevant to any one of these headings, that section will be omitted
Apathy is a prominent neuropsychiatric feature of radiological white‐matter changes in patients with dementia
Authors: Jonsson M. , Edman Å. , Lind K. , Rolstad S. , Sjögren M. , Wallin A.
Published: October 2009

Objective

Cerebral white‐matter changes (WMCs) are frequently found in dementia and have been proposed to be related to vascular factors and a certain symptomatological profile. However, few studies have included both vascular factors and a broad spectrum of cognitive, neurological and psychiatric symptoms, easily detectable by the physician in the everyday clinical work. The objective was to study the relationships between WMCs on MRI/CT and neuropsychiatric symptoms and vascular factors in patients with cognitive impairment.

Methods

One hundred and seventy‐six patients with Alzheimer's disease, vascular dementia, mixed dementia, and mild cognitive impairment were included. All patients underwent a standardized examination including medical history, clinical examinations, laboratory tests and brain imaging (CT or MRI). The identification and severity degree of WMCs was assessed blindly to clinical findings, using a semi‐quantitative scale. For statistical analyses, patients were grouped based on absence or presence of WMCs. Significant variables in bivariate analyses were included as predictors in stepwise multiple logistic regression analyses.

Results

Bivariate analyses showed significant associations between WMCs and age, gender, blood pressure, hypertension, ischaemic heart disease and TIA/RIND. Furthermore, there were significant associations between WMCs and apathy, mental slowness, disinhibition, gait disturbance and focal neurologic symptoms. The multivariate logistic model revealed apathy, mental slowness and age as the most consistent predicting factors for WMCs, together with MRI as a radiological method for the detection of WMCs.

Conclusions

The findings indicate that WMCs in patients with dementia are associated with a dysexecutive‐related behavioural symptom profile, vascular factors related to small and large vessel diseases and age. Copyright © 2009 John Wiley & Sons, Ltd.
Depression and parkinsonism in older Europeans: results from the EURODEP concerted action
Authors: Braam Arjan W. , Beekman Aartjan T. F. , Dewey Michael E. , Delespaul Philippe A. E. G. , Fichter Manfred , Lobo Antonio , Magnússon Hallgrímur , Pérès Karine , Reischies Friedel M. , Roelands Marc , Saz Pedro , Schoevers Robert A. , Skoog Ingmar , Copeland John R. M.
Published: October 2009

Objective

The prevalence rate of depression among patients with Parkinson's disease (PD) has been estimated at 25%, although prevalence figures range between 7–76%. Relatively few studies on PD and depression are based on random samples in the general population. Some depressive symptoms can also be understood as symptoms of parkinsonism, and the current study aims to describe which ‘overlap’ symptoms can be identified in a community sample.

Methods

Data are employed from the EURODEP collaboration. Nine study centres, from eight western European countries, provided data on depression (most GMS‐AGECAT), depressive symptoms (EURO‐D items and anxiety), parkinsonism (self‐report of PD or clinical signs of PD), functional disability and dementia diagnosis.

Results

Data were complete for 16 313 respondents, aged 65 and older; 306 (1.9%) reported or had signs of parkinsonism. The rate of depression was about twice as high among respondents with parkinsonism (unadjusted Odds Ratio 2.44, 95% Confidence Interval 1.88–3.17), also among those without functional disability. ‘Overlap’ symptoms between parkinsonism and depression, were represented by motivation and concentration problems, appetite problems and especially the symptom of fatigue (energy loss). However, principal component analysis showed that these ‘overlap’ symptoms loaded on different factors of the EURO‐D scale.

Conclusions

As among clinical patients with PD, depression is highly common in community dwelling older people with parkinsonism, even among those without functional disability. Although fatigue did not strongly relate to motivational symptoms, both types of ‘overlap’ symptoms possibly trigger a final common pathway towards a full depressive syndrome. Copyright © 2009 John Wiley & Sons, Ltd.
Hepatitis C Virus–Induced Up-Regulation of Protein Phosphatase 2A Inhibits Histone Modification and Dna Damage Repair
Authors: Duong Francois H. T. , Christen Verena , Lin Shanshan , Heim Markus H.
Published: October 2009

The molecular mechanisms underlying hepatocarcinogenesis in chronic viral hepatitis are poorly understood. A potential tumorigenic pathway could involve protein phosphatase 2A (PP2A) and protein arginine methyltransferase 1 (PRMT1), because both enzymes are dysregulated in chronic hepatitis C, and both enzymes have been involved in chromatin remodeling and DNA damage repair. We used cell lines that allow the inducible expression of hepatitis C virus proteins (UHCV57.3) and of the catalytic subunit of PP2A (UPP2A-C8) as well as Huh7.5 cells infected with recombinant cell culture–derived hepatitis C virus (HCVcc) to study epigenetic histone modifications and DNA damage repair. The induction of viral proteins, the overexpression of PP2Ac, or the infection of Huh7.5 cells with HCVcc resulted in an inhibition of histone H4 methylation/acetylation and histone H2AX phosphorylation, in a significantly changed expression of genes important for hepatocarcinogenesis, and inhibited DNA damage repair. Overexpression of PP2Ac in NIH-3T3 cells increased anchorage-independent growth. These changes were partially reversed by the treatment of cells with the methyl-group donor

S

-adenosyl-l-methionine (SAMe).

Conclusion:

Hepatitis C virus–induced overexpression of PP2Ac contributes to hepatocarcinogenesis through dysregulation of epigenetic histone modifications. The correction of defective histone modifications by S-adenosyl-L-methionine makes this drug a candidate for chemopreventive therapies in patients with chronic hepatitis C who are at risk for developing hepatocellular carcinoma. (Hepatology 2010.)