bluuebunny/crossref_metadata_2025 huggingface dataset:
Density functional study of the phenylethyl + O2 reaction: Kinetic analysis for the low‐temperature autoignition of ethylbenzenes
Authors: Murakami Yoshinori , Oguchi Tatsuo , Hashimoto Kohtaro , Nakamura Akihiro , Sakai Yasuyuki , Ando Hiromitsu
Published: November 2011

Quantum chemical calculations at the CBS‐QB3 level of theory have been carried out to investigate the potential energy surfaces for the reactions of α‐ and β‐phenylethyl radicals with molecular oxygen. For the α‐phenylethyl + O2 reaction, all of the transition states for the isomerization reactions of α‐phenylethylperoxy radicals were positioned above the total energy of the reactants of α‐phenylethyl + O2. For the β‐phenylethyl + O2 reaction, on the other hand, most of the transition states were positioned below the total energy of the reactants of β‐phenylethyl + O2. The RRKM rate constant analysis revealed that the backward reaction forming α‐phenylethyl + O2 was dominant in the α‐phenylethyl radicals + O2 reaction system at the temperature range between 300 and 1500 K, whereas the reaction pathway forming cyclic O2 structures (5b) was dominant in the β‐phenylethyl radicals + O2 reaction system at the same temperature range. In the reactions of both α‐ and β‐phenylethyl radicals with molecular oxygen, the HO2 elimination reaction channels became more and more important when the temperature increased up to around 1000 K. Further decomposition channels of the cyclic O2 structures (5b) were investigated using the density functional B3LYP theories and found that all of these decomposition reactions could proceed without any large activation barriers. The transition state structures forming such cyclic O2 structures in the phenylpropyl + O2 have also been calculated, and it was found that these cyclic O2 structures were one of the major products on the high‐temperature reactions of β‐ and γ‐phenylpropyl radicals with molecular oxygen. © 2011 Wiley Periodicals, Inc. Int J Quantum Chem, 2011
Spin–orbit absorption spectroscopy of transition metal hydrides: A TD‐DFT and MS‐CASPT2 study of HM(CO)5(M = Mn, Re)
Authors: Brahim Houari , Daniel Chantal , Rahmouni Ali
Published: November 2011

The spin–orbit (SO) effects on the absorption spectra of HMn(CO)5and HRe(CO)5have been studied by means of ab initio multistate complete active space perturbation second order (MS‐CASPT2) and time‐dependent density functional theory (DFT) calculations. For both molecules and in contrast to the experimental spectra, the spin‐free theoretical absorption spectra differ significantly, especially in the region of the intense band observed at 47,000 cm−1. The main features of the lowest and highest parts of the absorption spectra are well reproduced making a reasonable assignment of the bands observed at 34,500 and 51,300 cm−1for HMn(CO)5and 37,000 and 50,630 cm−1for HRe(CO)5. Whereas, the lowest band of HMn(CO)5has a significant metal‐centered (MC) character, the band centered around 37,000 cm−1in HRe(CO)5corresponds to nearly pure metal‐to‐ligand‐charge‐transfer (MLCT) states. The intense bands observed above 48,000 cm−1in both complexes have mixed character with MLCT, sigma bond to ligand charge transfer, sigma bond to sigma bond charge transfer, and metal to sigma bond charge transfer contributions, which may vary as a function of the level of calculation (DFT, MS‐CASPT2, SO). This is attributed to the ability of the method at describing electronic correlation effects in various types of excited states in a balanced way. The SO absorption spectra are more realistic for both molecules with a red shift of the start of the absorption and a broadening of the bands due to a large mixing between the singlet–triplet states and an increase of the density of electronic states contributing to the absorption. This red shift is more important in HMn(CO)5than in HRe(CO)5due to the MC contribution to the lowest states in first‐row transition metal complexes. Our calculations point to the presence of an absorption of intermediate intensity, not observed experimentally, around 40,000–42,000 cm−1, mostly of MLCT character. © 2011 Wiley Periodicals, Inc. Int J Quantum Chem, 2012
In situ TEM study on the improvement of contact resistance between a carbon nanotube and metal electrodes by local melting
Authors: Karita Motoyuki , Asaka Koji , Nakahara Hitoshi , Saito Yahachi
Published: November 2011

Contact resistance between a multiwalled carbon nanotube (MWNT) and a metal electrode is governed by the contact structure. The relationship between the contact structure and electrical resistance was examined by in situ transmission electron microscopy using a nickel electrode and MWNTs with two kinds of tip structure; close‐capped and open‐ended. When the current density through the contact region reached a threshold value about 7.6 × 108 A/cm2, the MWNT tip was embedded below the nickel surface by local melting of the metal, and the contact resistance was reduced. In the case of the open‐ended MWNT, significant reduction of the contact resistance was observed, because inner shells of the MWNT with open cap can connect directly with the electrode. Copyright © 2011 John Wiley & Sons, Ltd.
Study on structure of heat‐treated fullerene nanowhiskers and their field electron emission characteristics
Authors: Asaka Koji , Nakayama Tadachika , Miyazawa Kun'ichi , Saito Yahachi
Published: November 2011

Single‐crystalline fullerene nanowhiskers heated in a high vacuum at 2373K were characterized by scanning electron microscopy, transmission electron microscopy, and Raman spectroscopy. The field electron emission from the heat‐treated nanowhiskers was studied by field emission microscopy. The outer shape of the heat‐treated nanowhiskers maintained its original morphology before heat treatment, that is, a straight shape with a uniform diameter along the long axis and a hexagonal cross section, whereas the inner structure was transformed from a single crystal of C60 to glassy carbon composed of crumpled graphitic layers. The field emission microscopy images of the heat‐treated nanowhiskers, reflecting the atomic structures of the crumpled graphitic layers in the emitting region, exhibited striped patterns that are characteristic of graphite emitters. Copyright © 2011 John Wiley & Sons, Ltd.
Imaging mass spectrometry reveals changes of metabolites distribution in mouse testis during testicular maturation
Authors: Goto‐Inoue Naoko , Hayasaka Takahiro , Zaima Nobuhiro , Setou Mitsutoshi
Published: November 2011

Although lipid metabolism is thought to be important for proper testicular maturation, the molecular mechanisms underlying this dynamic process remain incompletely understood. Matrix‐assisted laser desorption/ionization imaging mass spectrometry (MALDI‐IMS) can generate molecular ion images of tissue surfaces with high sensitivities and minimal chemical damage. With a wide range of detectable targets, we visualized various kinds of metabolites, such as glutathione, UDP‐HexNAc, phosphatidylcholine, sphingomyelin, phosphatidylinositol, seminolipid, and sulfatide. Here, we demonstrate the use of MALDI‐IMS with frozen sections of mouse testis at different developmental stages and clearly reveal that some molecular species of phosphatidylcholines and seminolipids show stage‐specific expression in testis. The result suggested that these molecular species serve different cellular functions during maturation. Copyright © 2011 John Wiley & Sons, Ltd.
Photoinduced Silver Nanoparticles/Nanorings on Plasmid DNA Scaffolds
Authors: Liu Jianhua , Zhang Xiaoliang , Yu Mei , Li Songmei , Zhang Jindan
Published: November 2011

Biological scaffolds are being actively explored for the synthesis of nanomaterials with novel structures and unexpected properties. Toroidal plasmid DNA separated from the Bacillus host is applied as a sacrificial mold for the synthesis of silver nanoparticles and nanorings. The photoirradiation method is applied to reduce AgI on the plasmid. The nanoparticles are obtained by varying the concentration of the AgI ion solution and the exposure time of the plasmid–AgI complex under UV light at 254 nm and room temperature. It is found that the plasmid serves not only as a template but also as a reductant to drive the silver nucleation and deposition. The resulting nanoparticles have a face‐centered cubic (fcc) crystal structure and 20–30 nm average diameter. The detailed mechanism is discussed, and other metals or alloys could also be synthesized with this method.
Electron‐Induced Dynamics of Heptathioether β‐Cyclodextrin Molecules
Authors: Kumar Avijit , Heimbuch René , Wimbush Kim S. , Ateşçi Hasan , Acun Adil , Reinhoudt David N. , Velders Aldrik H. , Zandvliet Harold J. W.
Published: November 2011

Variable‐temperature scanning tunneling microscopy (STM) and spectroscopy (STS) measurements are performed on heptathioether β‐cyclodextrin (β‐CD) self‐assembled monolayers (SAMs) on Au. The β‐CD molecules exhibit very rich dynamical behavior, which is not apparent in ensemble‐averaged studies. The dynamics are reflected in the tunneling current–time traces, which are recorded with the STM feedback loop disabled. The dynamics are temperature independent, but increase with increasing tunneling current and sample bias, thus indicating that the conformational changes of the β‐CD molecules are induced by electrons that tunnel inelastically. Even for sample biases as low as 10 mV, well‐defined levels are observed in the tunneling current–time traces. These jumps are attributed to the excitations of the molecular vibration of the macrocyclic β‐CD molecule. The results are of great importance for a proper understanding of transport measurements in SAMs.
Measurement of spiral artery jets: general principles and differences observed in small‐for‐gestational‐age pregnancies
Authors: Collins S. L. , Birks J. S. , Stevenson G. N. , Papageorghiou A. T. , Noble J. A. , Impey L.
Published: November 2011

Objective

To investigate whether the jets of blood from the mouths of the spiral arteries could be measured reliably, as well as their relationship with the uterine artery (UtA) and any differences in small‐for‐gestational‐age (SGA) pregnancies.

Methods

Participants underwent serial ultrasound scans, from 11 weeks' gestation. Pulsatility index (PI) and resistance index (RI) of jets into the intervillous space (IVS) and UtA were recorded at every visit. Intra‐ and interobserver variability studies were performed. Customized birth weight centiles were calculated and SGA was defined as < 10th centile. Linear mixed model analysis was used to allow for the longitudinal nature of the data.

Results

Sixty‐six women were recruited; 58 remained normotensive and delivered at term. Of these, six women delivered SGA newborns and 52 delivered appropriate‐for‐gestational‐age newborns. All had pulsatile jets until 20 weeks' gestation. The PI and RI of the jets decreased with advancing gestation, following a trend similar to that of the UtAs. There was no correlation between the jets and UtA waveforms when gestational age was controlled for. For intraobserver variability the intraclass correlation coefficient was 0.9. The interobserver study showed no significant difference between the observers. Mixed model analysis demonstrated that PI and RI of jets were different in SGA pregnancies (P < 0.06). This difference was not seen for the UtAs (P = 0.8).

Conclusion

This technique enables examination of characteristics of the jets of blood flowing from spiral arteries into the IVS. It is both precise and reproducible, with biologically plausible results. Further work is required to assess differences in pregnancies with adverse outcomes. Copyright © 2012 ISUOG. Published by John Wiley & Sons, Ltd.
Estimated weight centile as a predictor of perinatal outcome in small‐for‐gestational‐age pregnancies with normal fetal and maternal Doppler indices
Authors: Savchev S. , Figueras F. , Cruz‐Martinez R. , Illa M. , Botet F. , Gratacos E.
Published: November 2011

Objective

To evaluate the risk of adverse perinatal outcome according to estimated fetal weight (EFW) in a cohort of term small‐for‐gestational‐age (SGA) pregnancies with normal umbilical, fetal middle cerebral and maternal uterine artery Doppler indices.

Methods

A cohort of 132 term SGA fetuses with normal umbilical artery pulsatility index (PI), mean uterine artery PI and cerebroplacental ratio was compared to a control group of 132 appropriate‐for‐gestational‐age babies, matched by gestational age at delivery. The capacity of the EFW percentile to predict Cesarean delivery, Cesarean delivery for non‐reassuring fetal status (NRFS), neonatal acidosis and days of neonatal hospitalization was analyzed.

Results

As a whole, SGA fetuses with normal Doppler findings did not show a statistically significant difference for intrapartum Cesarean delivery (22.0 vs. 15.9%; P = 0.21) and neonatal acidosis (3.3 vs. 1.5%; P = 0.30), but had significantly higher risk for Cesarean delivery for NRFS (15.9 vs. 5.3%; P < 0.01) and longer neonatal hospitalization (1.39 vs. 0.87 days; P < 0.05) than did controls. SGA fetuses with EFW < 3rd centile had a significantly higher incidence of intrapartum Cesarean delivery (30.0 vs. 15.3%; P = 0.04), Cesarean delivery for NRFS (25.0 vs. 8.3%; P < 0.01) and longer neonatal hospitalization (2.0 vs. 0.9 days; P < 0.01) than those with EFW ≥ 3rd centile. SGA cases with EFW ≥ 3rd centile had perinatal outcomes similar to those of controls with normal EFW.

Conclusion

Among SGA fetuses with normal placental and cerebral Doppler ultrasound findings, EFW < 3rd centile discriminates between those with a higher risk for adverse perinatal outcome and those with outcomes similar to those of normally grown fetuses. Copyright © 2012 ISUOG. Published by John Wiley & Sons, Ltd.
Excited state coupled cluster methods
Authors: Sneskov Kristian , Christiansen Ove
Published: November 2011

We review coupled cluster (CC) theory for electronically excited states. We outline the basics of a CC response theory framework that allows the transfer of the attractive accuracy and convergence properties associated with CC methods over to the calculation of electronic excitation energies and properties. Key factors affecting the accuracy of CC excitation energy calculations are discussed as are some of the key CC models in this field. To aid both the practitioner as well as the developer of CC excited state methods, we also briefly discuss the key computational steps in a working CC response implementation. Approaches aimed at extending the application range of CC excited state methods either in terms of molecular size and phenomena or in terms of environment (solution and proteins) are also discussed. © 2011 John Wiley & Sons, Ltd.

This article is categorized under:

Electronic Structure Theory > Ab Initio Electronic Structure Methods
Fibrodysplasia ossificans progressiva: a human genetic disorder of extraskeletal bone formation, or—how does one tissue become another?
Authors: Shore Eileen M.
Published: November 2011

Fibrodysplasia ossificans progressiva (FOP) is a rare human genetic disease in which de novo osteogenesis—a developmental process occurring during embryonic skeletal formation—is induced aberrantly and progressively beginning during early childhood in soft connective tissues. Episodic initiation of spontaneous bone‐forming lesions occurs over time, affecting a generally predictable sequence of body locations following a pattern similar to that of the developing embryonic skeleton. The heterotopic (extraskeletal) bone formation in FOP can also be induced by connective tissue injury. At the tissue level, an initial tissue degradation phase is followed by a tissue formation phase during which soft connective tissues are replaced by bone tissue through endochondral osteogenesis. This extraskeletal bone is physiologically normal and develops through the same series of tissue differentiation events that occur during normal embryonic skeletal development. The underlying genetic mutation in FOP alters the signals that regulate induction of cell differentiation leading to bone formation. In addition to postnatal heterotopic ossification, FOP patients show specific malformations of skeletal elements indicating effects on bone formation during embryonic development as well. Nearly all cases of FOP are caused by the identical mutation in theACVR1gene that causes a single amino acid substitution, R206H, in the bone morphogenetic protein (BMP) type I receptor ACVR1 (formerly known as ALK2). This mutation causes mild constitutive activation of the BMP signaling pathway and identifies ACVR1 as a key regulator of cell fate decisions and bone formation, providing opportunities to investigate previously unrecognized functions for this receptor during tissue development and homeostasis.WIREs Dev Biol2012, 1:153–165. doi: 10.1002/wdev.9

This article is categorized under:

Signaling Pathways > Cell Fate Signaling

Vertebrate Organogenesis > Musculoskeletal and Vascular

Birth Defects > Organ Anomalies
White‐tailed deer age ratios as herd management and predator impact measures in pennsylvania
Authors: Rosenberry Christopher S. , Norton Andrew S. , Diefenbach Duane R. , Fleegle Jeannine T. , Wallingford Bret D.
Published: November 2011

A review of the Pennsylvania Game Commission's (PGC) deer management program and public concern about predator impacts on deer (Odocoileus virginianus) populations compelled the PGC to investigate the role of age ratios in developing management recommendations. Age ratios, such as proportion of juveniles in the antlerless harvest, may provide an index to population productivity and predator impacts. We estimated proportion of juveniles in the antlerless harvest from hunter‐killed deer, population trends using the Pennsylvania (USA) sex–age–kill model, and reproduction from road‐killed females. Using these estimates and a simulation model, we concluded that no single age‐ratio value would serve as a reliable measure of population status. Wildlife Management Unit‐specific trends in proportion of juveniles in the antlerless harvest and population trends provided the most relevant management information. We also provide an example decision chart to guide management actions in response to declining age ratios in the harvest. Although predator management activities and juvenile survival studies are often desired by the public, our decision‐chart example indicated a number of deer management options exist before investing resources in predator management activities and juvenile survival studies. Published 2011. This article is a U.S. Government work and is in the public domain in the USA.
Validity of hunter surveys for daily effort and deer sightings in Vermont
Authors: Haskell Shawn P.
Published: November 2011

Wildlife managers of harvested big game species, such as white‐tailed deer (Odocoileus virginianus), often rely on indices of abundance to monitor population trends and to estimate relative abundance among management units within a jurisdictional unit. Reliable estimates of hunters' hunting effort, harvest, and deer sightings can be used for estimates of relative abundance or population size by catch‐per‐unit‐effort models. I used likelihood‐based information‐theoretic evidence to show that random‐mailing surveys of licensed hunters in Vermont, USA, provided reliable knowledge regarding 1) daily hunter effort, and 2) deer sightings as a convenience index of abundance, during identically structured 16‐day antlered‐deer‐only rifle seasons in mid–late November, 2000–2009. As a covariate explaining daily probability of capture in a harvest‐based catch‐effort multinomial‐likelihood removal model, within‐year daily hunter‐effort data outperformed a larger data set pooled across years, suggesting that within‐year data captured information regarding variability of daily hunter effort among years. Two independent indices of relative abundance that were hunter sighting rates of deer and results of the harvest‐based removal models were well‐correlated at the regional level (n = 60, r2 = 0.74, P ≤ 0.001). Vermont's deer management program uses estimates of relative deer abundance from survey data of hunter effort and deer sightings to help prescribe annual antlerless deer harvests at the regional level, and lesser spatial extents, within its jurisdiction. Other states may find such data similarly valid and useful. © 2011 The Wildlife Society.
Captive breeding and reintroduction of the oriental pied hornbill (Anthracoceros albirostris) in Khao Kheow Open Zoo, Thailand
Authors: Chaiyarat Rattanawat , Kongprom Urarikha , Manathamkamon Darika , Wanpradab Sunan , Sangarang Satean
Published: November 2011

This article discusses two related issues of the captive breeding and reintroduction of the Oriental pied hornbill (Anthracoceros albirostris) in order to increase its population in the natural habitats. Oriental pied hornbills were bred in Khao Kheow Open Zoo. Three pairs were separated and kept in breeding cages. Females occupied artificial nests between February and April 2005–2007. Eggs were laid and incubated between February and March each year from 2005 to 2007. Nestlings hatched in late March and left the nest in late April 2005–2007. Each breeding pair was fed with approximately 400 g of food each day. All three pairs reproduced resulting in mature offspring of seven in 2005, six in 2006, and five in 2007. Four of sixteen 3‐year‐old birds were randomly selected and equipped with a GPS receiver on their backs. Activities of the birds attached and unattached with GPS were not significantly different. The first two birds (one female, one male with GPS) were reintroduced on August 5, 2006, and another nine birds (four birds with GPS) were reintroduced on December 26, 2006. The average home range of these reintroduced birds was 0.13 km2. Their foods consisted of wild plants and animals in the home range. The first reintroduced pair was able to breed naturally by laying and hatching eggs in an artificial nest. Two juveniles left the nest in April 2008. These results indicate that both captive breeding and reintroduction are potentially important ways to increase the population of the Oriental pied hornbill in natural habitats. Zoo Biol 31:683‐693, 2012. © 2011 Wiley Periodicals, Inc.
Amputation du gland au cours de la circoncision et réimplantation : à propos d’un cas et revue de la littérature
Authors: Diabaté I. , Kouka S. C. N.
Published: November 2011

L’amputation du gland au cours de la circoncision est une complication tragique dont la responsabilité incombe à l’opérateur. Le traitement de référence de cette lésion repose sur la réimplantation microchirurgicale par anastomose vasculaire et nerveuse. Nous rapportons un nouveau cas d’amputation totale du gland d’un enfant de six ans à la suite d’une circoncision et dont la réimplantation a été faite dans l’heure suivant l’accident, sans anastomose microchirurgicale. Avec un recul de plus de sept mois, le résultat obtenu a été jugé bon sur le plan urinaire et érectile de même que sur le plan de la sensibilité et de l’aspect cosmétique du gland.
Les torsions du cordon spermatique chez l’adulte au CHU Yalgado Ouédraogo de Ouagadougou
Authors: Kaboré F. A. , Zango B. , Yaméogo C. , Sanou A. , Kirakoya B. , Traoré S. S.
Published: November 2011

Objectif

Étudier les aspects épidémiologique, diagnostique et thérapeutique de la torsion du cordon spermatique (TCS) chez des sujets adultes de plus de 15 ans.

Matériel et méthodes

Étude rétrospective descriptive du 1er janvier 2004 au 30 juin 2010 menée dans les services d’urologie et des urgences de chirurgie viscérale du CHU Yalgado-Ouédraogo de Ouagadougou (Burkina Faso). Nous avons colligé 51 dossiers médicaux de tous les patients qui ont été reçus pour suspicion de TCS durant la période d’étude.

Résultats

La TCS était confirmée chez 40 patients (78,4%) à la scrototomie exploratrice. L’âge moyen des patients était de 26 ans (extrêmes de 16 et 55 ans). Le délai moyen de consultation était de 24,6 heures et 84,3 % des patients avaient consulté après la sixième heure. La tuméfaction de l’hémibourse et l’ascension testiculaire étaient les signes physiques dominants. Une orchidectomie a été réalisée chez 22 patients (55 %). Les suites opératoires étaient simples chez tous les patients avec une durée moyenne d’hospitalisation de 4,3 jours (extrêmes de deux et sept jours).

Conclusions

Notre série est marquée par une forte proportion d’orchidectomie. Des actions de sensibilisation des populations doivent être menées afin qu’elles consultent rapidement devant tout tableau de bourse aiguë douloureuse.
Paternal involvement in Multisystemic Therapy: Effects on adolescent outcomes and maternal depression
Authors: Gervan Shannon , Granic Isabela , Solomon Tracy , Blokland Kirsten , Ferguson Bruce
Published: November 2011

The association between paternal involvement in therapy, adolescent outcomes and maternal depression was examined within the context of Multisystemic Therapy (MST), an empirically supported, family‐ and community‐based treatment for antisocial adolescents. Ninety‐nine families were recruited from five mental health agencies providing MST. We compared families with paternal involvement in therapy (PIT) to families with no paternal involvement in therapy (NPIT) in pre‐post change in adolescents’ externalizing and internalizing behaviours and also in maternal depression. There was a significant reduction in both groups in externalizing and internalizing behaviours. However, the magnitude of improvement was significantly greater for the PIT families. Both groups saw a significant reduction in maternal depression but no significant group differences were found. Results suggest that if possible, paternal figures should be encouraged to actively participate in therapy, as adolescents outcomes are enhanced when mothers and paternal figures participate in MST together.
Semi‐transparency, dealership market, and foreign exchange market quality
Authors: Ding Liang , Zou Hao , Addona Vittorio
Published: November 2011

This paper examines the effects of a semi‐transparency event, the introduction of the electronic trading system (EBS), on the market quality of a typical dealership market – the FX market. We find that increasing transparency leads to smaller quote disagreement among dealers and higher trading volume, but the beneficial effects are bigger for uninformed dealers than informed dealers. We also find that information efficiency improves overall in the semi‐transparent system; however, informed dealers are found to quote less aggressively in the more transparent market. We conclude that semi‐transparency raises market quality in general, but that it is the uninformed dealers who benefit more from this increased quality.
Impact of polydextrose on the faecal microbiota: a double-blind, crossover, placebo-controlled feeding study in healthy human subjects
Authors: Costabile Adele , Fava Francesca , Röytiö Henna , Forssten Sofia D. , Olli Kaisa , Klievink Judith , Rowland Ian R. , Ouwehand Arthur C. , Rastall Robert A. , Gibson Glenn R. , Walton Gemma E.
Published: November 2011

In this placebo-controlled, double-blind, crossover human feeding study, the effects of polydextrose (PDX; 8 g/d) on the colonic microbial composition, immune parameters, bowel habits and quality of life were investigated. PDX is a complex glucose oligomer used as a sugar replacer. The main goal of the present study was to identify the microbial groups affected by PDX fermentation in the colon. PDX was shown to significantly increase the known butyrate producerRuminococcus intestinalisand bacteria of theClostridiumclusters I, II and IV. Of the other microbial groups investigated, decreases in the faecalLactobacillus–Enterococcusgroup were demonstrated. Denaturing gel gradient electrophoresis analysis showed that bacterial profiles between PDX and placebo treatments were significantly different. PDX was shown to be slowly degraded in the colon, and the fermentation significantly reduced the genotoxicity of the faecal water. PDX also affected bowel habits of the subjects, as less abdominal discomfort was recorded and there was a trend for less hard and more formed stools during PDX consumption. Furthermore, reduced snacking was observed upon PDX consumption. This study demonstrated the impact of PDX on the colonic microbiota and showed some potential for reducing the risk factors that may be associated with colon cancer initiation.
The Religious Aspect of Labour Ethics in Medieval and Early Modern Russia
Authors: Tarasov Arkadiy E.
Published: November 2011

This article analyses the basic feature that defined Russian labour ethics in medieval and early modern times – its religious aspect. There are two main elements to the subject. First, the role of Eastern Christianity and Church tradition in labour regulations, and second, the realities of everyday life in Russia and the historical peculiarities of the Russian locale, its natural conditions and climatic features, which had an influence on working activity. Until the time of Peter the Great, the labour ethics of the Russian Orthodox Church saw no significant change, and their main content could be defined as an educational process.
Unmet needs in patients with first-episode schizophrenia: a longitudinal perspective
Authors: Landolt K. , Rössler W. , Burns T. , Ajdacic-Gross V. , Galderisi S. , Libiger J. , Naber D. , Derks E. M. , Kahn R. S. , Fleischhacker W. W.
Published: November 2011

Background

This study aimed to identify the course of unmet needs by patients with a first episode of schizophrenia and to determine associated variables.

Method

We investigated baseline assessments in the European First Episode Schizophrenia Trial (EUFEST) and also follow-up interviews at 6 and 12 months. Latent class growth analysis was used to identify patient groups based on individual differences in the development of unmet needs. Multinomial logistic regression determined the predictors of group membership.

Results

Four classes were identified. Three differed in their baseline levels of unmet needs whereas the fourth had a marked decrease in such needs. Main predictors of class membership were prognosis and depression at baseline, and the quality of life and psychosocial intervention at follow-up. Depression at follow-up did not vary among classes.

Conclusions

We identified subtypes of patients with different courses of unmet needs. Prognosis of clinical improvement was a better predictor for the decline in unmet needs than was psychopathology. Needs concerning social relationships were particularly persistent in patients who remained high in their unmet needs and who lacked additional psychosocial treatment.
Abnormal anterior cingulate cortical activity during emotional n-back task performance distinguishes bipolar from unipolar depressed females
Authors: Bertocci M. A. , Bebko G. M. , Mullin B. C. , Langenecker S. A. , Ladouceur C. D. , Almeida J. R. C. , Phillips M. L.
Published: November 2011

Background

Depression in the context of bipolar disorder (BDd) is often misdiagnosed as unipolar disorder depression (UDd) leading to poor clinical outcomes for many bipolar sufferers. We examined neural circuitry supporting emotion regulation in females with either BDd or UDd as a first stage toward identifying biomarkers that may differentiate BDd from UDd.

Method

Fifty-seven females aged 18–45 years participated in this study: 23 with UDd, 18 with bipolar disorder type I depression (BDId) and 16 healthy females. During 3-T functional magnetic resonance imaging (fMRI), the participants performed an emotional face n-back (EFNBACK) task, that is an n-back task with high (2-back) and low (0-back) memory load conditions flanked by two positive, negative or neutral face distracters. This paradigm examines executive control with emotional distracters–emotion regulation.

Results

High memory load with neutral face distracters elicited greater bilateral and left dorsal anterior midcingulate cortex (dAMCC) activity in UDd than in healthy and BDId females respectively, and greater bilateral putamen activity in both depressed groups versus healthy females. High memory load with happy face distracters elicited greater left putamen activity in UDd than in healthy females. Psychotropic medication was associated with greater putamen activity to these contrasts in UDd females.

Conclusions

During high memory load with neutral face distracters, elevated dAMCC activity in UDd suggests abnormal recruitment of attentional control circuitry to maintain task performance, whereas elevated putamen activity unrelated to psychotropic medication in BDId females may suggest an attentional bias toward ambiguous neutral face distracters. Differential patterns of functional abnormalities in neural circuitry supporting attentional control during emotion regulation, especially in the dAMCC, is a promising neuroimaging measure to distinguish UDd from BDId in females.
EXTERNAL VALIDITY AND LIBRARIES OF PHENOMENA: A CRITIQUE OF GUALA'S METHODOLOGY OF EXPERIMENTAL ECONOMICS
Authors: Jones Martin K.
Published: November 2011

Francesco Guala has developed some novel and radical ideas on the problem of external validity, a topic that has not received much attention in the experimental economics literature. In this paper I argue that his views on external validity are not justified and the conclusions which he draws from these views, if widely adopted, could substantially undermine the experimental economics enterprise. In rejecting the justification of these views, the paper reaffirms the importance of experiments in economics.
A PARADIGM SHIFT IN THEORIZING ABOUT JUSTICE? A CRITIQUE OF SEN
Authors: Valentini Laura
Published: November 2011

In his recent bookThe Idea of Justice, Amartya Sen suggests that political philosophy should move beyond the dominant, Rawls-inspired, methodological paradigm – what Sen calls ‘transcendental institutionalism’ – towards a more practically oriented approach to justice: ‘realization-focused comparison’. In this article, I argue that Sen's call for a paradigm shift in thinking about justice is unwarranted. I show that his criticisms of the Rawlsian approach are either based on misunderstandings, or correct but of little consequence, and conclude that the Rawlsian approach already delivers much of what Sen himself wants from a theory of justice.
Identification and characterization of abrupt changes in the land uptake of carbon
Authors: Beaulieu Claudie , Sarmiento Jorge L. , Mikaloff Fletcher Sara E. , Chen Jie , Medvigy David
Published: November 2011

A recent study of the net land carbon sink estimated using the Mauna Loa, Hawaii atmospheric CO2record, fossil fuel estimates, and a suite of ocean models suggests that the mean of the net land carbon uptake remained approximately constant for three decades and increased after 1988/1989. Due to the large variability in the net land uptake, it is not possible to determine the exact timing and nature of the increase robustly by visual inspection. Here, we develop a general methodology to objectively determine the nature and timing of the shift in the net land uptake based on the Schwarz Information Criterion. We confirm that it is likely that an abrupt shift in the mean net land carbon uptake occurred in 1988. After taking into account the variability in the net land uptake due to the influence of volcanic aerosols and the El Niño Southern Oscillation, we find that it is most likely that there is a remaining step increase at the same time (p‐values of 0.01 and 0.04 for Mauna Loa and South Pole, respectively) of about 1 Pg C/yr. Thus, we conclude that neither the effect of volcanic eruptions nor the El Niño Southern Oscillation are the causes of the sudden increase of the land carbon sink. By also applying our methodology to the atmospheric growth rate of CO2, we demonstrate that it is likely that the atmospheric growth rate of CO2 exhibits a step decrease between two fitted lines in 1988–1989, which is most likely due to the shift in the net land uptake of carbon.
Seafloor seismometers monitor northern Cascadia earthquakes
Authors: Scherwath Martin , Spence George , Obana Koichiro , Kodaira Shuichi , Wang Kelin , Riedel Michael , McGuire Jeff , Collins John
Published: November 2011

The Mw = 9.0 earthquake of 11 March 2011 at the Japan Trench and its devastating tsunami underscore the importance of understanding seismogenic behavior of subduction faults and realistically estimating the potential size of future earthquakes and tsunamis. For the Cascadia subduction zone (Figure 1a), a critical knowledge gap is the level of microseismicity offshore, especially near the megathrust, needed to better understand the state of the locked zone. In 2010 the first detailed seafloor earthquake monitoring campaign along the northern Cascadia subduction zone recorded nearby earthquakes in the local magnitude (ML) range from possibly around zero to 3.8 (Figures 1b and 1c) and larger earthquakes from outside this region. Preliminary analyses indicate that the network appears to have yielded a fairly complete catalog for events with ML > 1.2. Only a few tens of these events occurred beneath the continental shelf and slope (Figure 1a). The majority of the earthquakes were located along the margin‐perpendicular Nootka fault zone. The relatively low seismicity away from the Nootka fault is consistent with a fully locked megathrust. Land‐based GPS measurements cannot resolve the question of whether the offshore part of the megathrust seismogenic zone is narrow and fully locked or wider and only partially locked (slowly creeping). If it were only partially locked, the seafloor seismometer data should show many more small earthquakes along the interface than were actually detected.
Serpentinization of oceanic peridotites: 1. A high‐sensitivity method to monitor magnetite production in hydrothermal experiments
Authors: Malvoisin Benjamin , Carlut Julie , Brunet Fabrice
Published: November 2011

A new method using the magnetic properties of magnetite, Fe3O4, was developed to monitor experimental serpentinization. The saturation remanent magnetization signal (Jrs) was measured during the course of experiments designed to react San Carlos olivine, (Mg0.91, Fe0.09)2SiO4, with water at 250 to 350°C and 500 bars. At the end of the experiments, the ratio with saturation magnetization (Jrs/Js ratio) allowed to convert each successive Jrs measurement into an in situ amount of magnetite produced by the serpentinization reaction. Water weight loss was also measured on the end product to determine the final degree of serpentinization. The application of this procedure to a series of experiments performed at 300°C/500 bars for various run duration (9 to 514 days) and starting olivine grain size (1 to 150 μm) shows a linear relationship between magnetite production and reaction progress. This relationship can be safely transposed to other experimental conditions using thermochemical modeling and/or the Fe content of the product phases. We show that this high‐sensitivity magnetic method is a powerful tool to precisely monitor serpentinization kinetics in Fe‐bearing systems. It represents, in addition, a new indirect mean for monitoring the production of hydrogen which is bound to magnetite production rate.
Using TIMED/SABER nightglow observations to investigate hydroxyl emission mechanisms in the mesopause region
Authors: Xu Jiyao , Gao Hong , Smith Anne K. , Zhu Yajun
Published: November 2011

Thermosphere, Ionosphere, Mesosphere, Energetics, and Dynamics (TIMED)/Sounding of the Atmosphere Using Broadband Emission Radiometry (SABER) observations of vertical profiles of the OH nightglow emission rates, temperature, and ozone are used along with a theoretical model of the OH nightglow to distinguish the dominant mechanism for the nightglow. From the comparison between the model fit and the observations we conclude that the chemical reaction O3 + H→OH(v ≤ 9) + O2 leads to population distributions of vibrationally excited states that are consistent with the measurements. The contribution of the reaction HO2 + O→OH(v ≤ 6) + O2 to the nightglow is not needed to reproduce the measurements above 80 km, at least for the emissions originating from vibrational transitions with v ≥ 4. The analysis also determines the best fits for quenching of OH(v) by O2 and O. The results show that the quenching rate of OH(v) by O2 is smaller and that the removal by O is larger than currently used for the analysis of SABER data. The rate constant for OH(v) quenching by O2 decreases with temperature in the mesopause region. The vertical profiles of atomic oxygen and hydrogen retrieved using both 2.0 and 1.6 μm channels of Meinel band emission of the OH nightglow and the new quenching rates are slightly smaller than the profiles retrieved using only the 2.0 μm channel and the quenching rate coefficients currently used for the analysis of SABER data. The fits of the model to the observations were also used to evaluate two other assumptions. The assumption of sudden death quenching of OH by O2 and N2 (i.e., quenching to the ground state rather than to intermediate vibrational levels) leads to poorer agreement with the SABER observations. The question of whether the reaction with or quenching by atomic oxygen depends on the OH vibrational level could not be resolved; assumptions of vibrational level dependence and independence both gave good fits to the observed emissions.
Structural requirements for the binding affinity of some small, non–peptide C5a receptor antagonists
Authors: Xie Haiying , Wang Weiming , Xie Ziqiang , Chen Hong , Chen Kexian
Published: November 2011

Complement anaphylatoxin 5a (C5a) has been recognized as a potent therapeutic target for anti-inflammatory therapy, thus, blocking the action of C5a on its binding receptors may provide an effective treatment of a variety of inflammatory diseases. However, there have been few clinically available non-peptide C5a receptor antagonists disclosed at present. In pursuit of better anti-inflammatory drugs, quantitative structure–activity relationship studies were carried out in a series of non-peptide C5a receptor antagonists with binding activity using different physicochemical descriptors. The conventional best 2D-QSAR models were developed using a training set of 35 molecules and an external test set of 8 molecules by genetic function approximation (GFA) and stepwise multiple linear regression (Stepwise-MLR) with acceptable r^2^ of 0.773 and 0.863, r^2^~CV~ of 0.752 and 0.775, and r^2^~pred~ of 0.801 and 0.888, respectively, indicating binding activity strongly depends on thermodynamic properties as expressed by the hydrophobicity of molecules.
Taming of the wild vessel: promoting vessel stabilization for safe therapeutic angiogenesis
Authors: Reginato Silvia , Gianni-Barrera Roberto , Banfi Andrea
Published: November 2011

VEGF (vascular endothelial growth factor) is the master regulator of blood vessel growth. However, it displayed substantial limitations when delivered as a single gene to restore blood flow in ischaemic conditions. Indeed, uncontrolled VEGF expression can easily induce aberrant vascular structures, and short-term expression leads to unstable vessels. Targeting the second stage of the angiogenic process, i.e. vascular maturation, is an attractive strategy to induce stable and functional vessels for therapeutic angiogenesis. The present review discusses the limitations of VEGF-based gene therapy, briefly summarizes the current knowledge of the molecular and cellular regulation of vascular maturation, and describes recent pre-clinical evidence on how the maturation stage could be targeted to achieve therapeutic angiogenesis.
Angiogenesis regulation by TGFβ signalling: clues from an inherited vascular disease
Authors: Mahmoud Marwa , Upton Paul D. , Arthur Helen M.
Published: November 2011

Studies of rare genetic diseases frequently reveal genes that are fundamental to life, and the familial vascular disorder HHT (hereditary haemorrhagic telangiectasia) is no exception. The majority of HHT patients are heterozygous for mutations in either the ENG (endoglin) or the ACVRL1 (activin receptor-like kinase 1) gene. Both genes are essential for angiogenesis during development and mice that are homozygous for mutations in Eng or Acvrl1 die in mid-gestation from vascular defects. Recent development of conditional mouse models in which the Eng or Acvrl1 gene can be depleted in later life have confirmed the importance of both genes in angiogenesis and in the maintenance of a normal vasculature. Endoglin protein is a co-receptor and ACVRL1 is a signalling receptor, both of which are expressed primarily in endothelial cells to regulate TGFβ (transforming growth factor β) signalling in the cardiovasculature. The role of ACVRL1 and endoglin in TGFβ signalling during angiogenesis is now becoming clearer as interactions between these receptors and additional ligands of the TGFβ superfamily, as well as synergistic relationships with other signalling pathways, are being uncovered. The present review aims to place these recent findings into the context of a better understanding of HHT and to summarize recent evidence that confirms the importance of endoglin and ACVRL1 in maintaining normal cardiovascular health.
The role of nesprins as multifunctional organizers in the nucleus and the cytoskeleton
Authors: Noegel Angelika A. , Neumann Sascha
Published: November 2011

Nesprins (nuclear envelope spectrin repeat proteins), also known as SYNE (synaptic nuclear envelope protein), MYNE (myocyte nuclear envelope protein), ENAPTIN and NUANCE, are proteins that are primarily components of the nuclear envelope. The nuclear envelope is a continuous membrane system composed of two lipid bilayers: an inner and an outer nuclear membrane. Nesprins are components of both nuclear membranes and reach into the nucleoplasm and the cytoplasm, where they undergo different interactions and have the potential to influence transcriptional processes and cytoskeletal activities.
Clinical and genetic heterogeneity in laminopathies
Authors: Bertrand Anne T. , Chikhaoui Khadija , Yaou Rabah Ben , Bonne Gisèle
Published: November 2011

Mutations in the LMNA gene encoding lamins A/C are responsible for more than ten different disorders called laminopathies which affect various tissues in an isolated (striated muscle, adipose tissue or peripheral nerve) or systemic (premature aging syndromes) fashion. Overlapping phenotypes are also observed. Associated with this wide clinical variability, there is also a large genetic heterogeneity, with 408 different mutations being reported to date. Whereas a few hotspot mutations emerge for some types of laminopathies, relationships between genotypes and phenotypes remain poor for laminopathies affecting the striated muscles. In addition, there is important intrafamilial variability, explained only in a few cases by digenism, thus suggesting an additional contribution from modifier genes. In this regard, a chromosomal region linked to the variability in the age at onset of myopathic symptoms in striated muscle laminopathies has recently been identified. This locus is currently under investigation to identify modifier variants responsible for this variability.
Reproductive aging: insights from model organisms
Authors: Ye Alice L. , Bhalla Needhi
Published: November 2011

Aging was once thought to be the result of a general deterioration of tissues as opposed to their being under regulatory control. However, investigations in a number of model organisms have illustrated that aspects of aging are controlled by genetic mechanisms and are potentially manipulable, suggesting the possibility of treatment for age-related disorders. Reproductive decline is one aspect of aging. In model organisms and humans of both sexes, increasing age is associated with both a decline in the number of progeny and an increased incidence of defects. The cellular mechanisms of reproductive aging are not well understood, although a number of factors, both intrinsic and extrinsic to an organism's germline, may contribute to aging phenotypes. Recent work in a variety of organisms suggests that nuclear organization and nuclear envelope proteins may play a role in these processes.