bluuebunny/crossref_metadata_2025_split huggingface dataset:
Structural aspects of the intermolecular hydrogen bond strength: H‐bonded complexes of aniline, phenol and pyridine derivatives
Authors: Szatyłowicz Halina 
Published: May 2008

AbstractThis short review is devoted to the description of the effect of the nature and the strength of intermolecular hydrogen bonds on structural properties of H‐bonded complexes of aniline, phenol and pyridine derivatives. Several hundreds of such complexes, playing an important role in organic chemistry and biochemistry, have been identified and described in the literature. In the introductory part, the idea of the H‐bond is discussed in terms of its historical development, followed by presently accepted classification of H‐bonds. Critical review of quantum methods usually used for the calculations of the geometry of H‐bonded complexes and the energies of H‐bonds is then presented. In the second part, the H‐bond‐induced geometrical, hybridization and aromaticity index changes are discussed. All correlations based on quantum calculations are compared with those derived from the available crystal structure data. Although the experimental data are more scattered than the calculated ones, their agreement is impressive. This unequivocally shows the power of the calculation methods developed in recent years. Copyright © 2008 John Wiley & Sons, Ltd.
Effects of the nematode Phasmarhabditis hermaphrodita and of venom from the endoparasitic wasp Pimpla hypochondriaca on survival and food consumption of the pest slug Deroceras reticulatum; implications for novel biocontrol strategies
Authors: Richards Elaine H , DeMarzo Damian , Port Gordon R , Dani M Paulina , Walters Keith FA 
Published: May 2008

AbstractBACKGROUND: Controlling pests through disruption of biochemical pathways by physiologically active compounds/factors from animals and plants represents an expanding field of research. The authors investigated whether such factors in venom from the wasp Pimpla hypochondriaca (Retzius) can affect the viability and food consumption of the slug Deroceras reticulatum (Müller), and whether they can improve the efficacy of nematode‐induced slug mortality.RESULTS: Exposure of slugs to 4 mL of water containing 500, 1000 and 5000 Phasmarhabditis hermaphrodita (Schneider) resulted in significant increases in mortality (with hazard ratios of 3.5, 3.9 and 5.8 respectively) and significant reductions in total food consumption and mean food consumption each day for 21 days. Injection of slugs with 4, 8 or 12 µL of P. hypochondriaca venom resulted in significant increases in mortality (with hazard ratios of 3.3, 4.5 and 9.0 respectively) and significant reductions in total food consumption compared with the controls. However, there was no significant effect of venom on the mean food consumption on individual days of the 21 day assay period, although significant reductions occurred for the 8 and 12 µL doses up to day 10. Injecting slugs with 4 µL of venom prior to exposure to 500 nematodes had no synergistic effect on either mortality or food consumption compared with either of the individual treatments.CONCLUSIONS: Pimpla hypochondriaca venom contains factors capable of killing and reducing food consumption by D. reticulatum. The utilization of these factors as components of integrated pest management strategies is discussed. © Crown copyright 2008. Reproduced with the permission of Her Majesty's Stationery Office. Published by John Wiley & Sons, Ltd.
Biofilm growth from wastewater on MWNTs and carbon aerogels
Authors: Dumitru Anca , Morozan Adina , Ghiurea M. , Scott K. , Vulpe S. 
Published: May 2008

AbstractThe improving carbon nanostructure bioactivity related to a specific microorganism community is an important research goal of bionanotechnology. The functionalized CNTs are used to improve the bioaffinity of working electrode in microbial fuel cells and wastewater treatment. Beside CNTs, carbon aerogel is another carbon material with high surface area, high open porosity and controllable morpho‐structural characteristics. In the present work we investigate the biofilm growth from wastewater on functionalized CNTs and carbon aerogels. The biofilm growth on CNTs and carbon aerogel was monitored by optical and scanning electron microscopy. The influence of the bacterial growth phase on carbon electrode was assessed by cyclic voltammetry measurements in wastewater and 0.5 M potassium phosphate buffer solution. (© 2008 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Junction properties of nitrogen‐doped ZnO thin films
Authors: Lu J. G. , Fujita S. , Kawaharamura T. , Nishinaka H. , Kamada Y. 
Published: May 2008

AbstractZnO‐based p‐n homojunctions, comprised of N‐doped p‐type ZnO and Al‐doped n‐type ZnO layers, were fabricated on n‐Si substrates by atmospheric pressure mist chemical vapor deposition. In/Au metals were deposited on the top of the p‐ZnO layer and on the bottom of the n‐Si substrate to form Ohmic contacts. The n‐Si substrate could serve as a good electrode. The current‐voltage measurements at room temperature showed apparent rectifying behavior for the ZnO p‐n homojunction, with a turn‐on voltage of about 3.8 V under forward bias and a hard breakdown under reverse bias. The time‐dependent instability after fabrication was attributed to the degradation of p‐type conducting of the ZnO:N layer. (© 2008 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Size control of Fe nanoparticles for carbon nanotube growth using carbonyl iron vapour
Authors: Ohara K. , Neo Y. , Mimura H. , Inoue Y. , Ishida A. 
Published: May 2008

AbstractTo control the size and density of catalyst nanoparticles, we performed gas‐phase catalytic chemical vapour deposition (CVD). Fe nanoparticles were formed at a substrate temperature from 300 to 700 °C. From AFM measurements, we found that Fe nanoparticle size decreased from 36.8 nm to 7.6 nm with increasing the substrate temperature. Following the formation of nanoparticles, CNTs were successively grown by thermal CVD at 800 °C. The density of CNTs was changed depending on Fe nanoparticle density. (© 2008 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Theoretical analysis of light emission from a coupled system of a photonic nanocavity and a quantum dot
Authors: Yamaguchi M. , Asano T. , Fujita M. , Noda S. 
Published: May 2008

AbstractThis report quantum mechanically analyses a system composed of a two‐level system, a single mode cavity, and free space photon modes, which are coupled to each other. The analytical solution in the intermediate regime between the strong and weak coupling regimes is successfully obtained. It is found that the emission rate reaches its maximum when the cavity photon lifetime τcav satisfy 1/τcav = 4|g |, where 2|g | is the vacuum Rabi frequency. Also, Fano resonance is shown to occur under certain conditions. These results can be useful for high‐speed single photon sources and for fundamental understanding of the interaction between a quantum dot and a cavity mode. (© 2008 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
MBE‐VLS growth of GaAs nanowires on (111)Si substrate
Authors: Paek J. H. , Nishiwaki T. , Yamaguchi M. , Sawaki N. 
Published: May 2008

AbstractThe growth of a GaAs nanowire was attempted on a (111)Si substrate by molecular beam epitaxy adopting the vapour‐liquid‐solid method with Au colloids as the catalysts. The shape of the nanowire was of a hexagonal column of about 3 μm long. The growth rate of the wire was extremely high as compared to the previous reports. The diameter near the bottom of the wire was not equal to but larger than that measured at the top of the wire, which is attributed to the diffusion of the Ga precursors on the wire wall. It was found that the shape as well as size of the wire was sensitive to the growth conditions, and a long and thin nanowire was achieved at high V/III ratios. (© 2008 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Ferromagnetic rutile CoxTi1–xO2–δ heteroepitaxy on wurtzite GaN and ZnO
Authors: Hirose Yasushi , Hitosugi Taro , Kasai Junpei , Furubayashi Yutaka , Nakajima Kiyomi , Chikyow Toyohiro , Konuma Seiji , Shimada Toshihiro , Hasegawa Tetsuya 
Published: May 2008

AbstractRutile CoxTi1–xO2–δ (100) films were heteroepitaxially grown on GaN (0001) and ZnO (0001) by pulsed laser deposition. Magneto‐optical Kerr effect measurements indicated that the CoxTi1–xO2–δ films grown at appropriate oxygen partial pressure show room‐temperature ferromagnetism both on GaN (0001) and ZnO (0001) substrate. XRD and cross‐sectional TEM measurements confirmed solid solution of Co in rutile TiO2 matrix without any precipitates and secondary phases. High‐resolution TEM observation of the CoxTi1–xO2–δ/GaN interface revealed atomically smooth interface without intermixing, which promises the application of CoxTi1–xO2–δ in opto‐spintronics devices as a spin injector. (© 2008 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Structural and optical properties of InN/GaN nanodots grown by metalorganic chemical vapor deposition
Authors: Chang Wen‐Hao , Lee Lin , Chen Ching‐Yu , Tsai Wen‐Che , Lin Hsuan , Chou Wu‐Ching , Lee Ming‐Chih , Chen Wei‐Kuo 
Published: May 2008

AbstractInN nanodots grown on GaN by metalorganic chemical vapor deposition (MOCVD) using conventional growth mode as well as flow‐rate modulation epitaxy (FME) at various growth temperatures (550–730 °C) were investigated. We found that different precursor injection schemes together with the effect of growth temperatures greatly influenced the surface morphology of InN dots and their photoluminescence (PL) properties. The best growth efficiency of InN was achieved by FME at around 650 °C. The residual carrier concentration and PL efficiency was also be improved when a high growth temperature was used. Our results indicated that InN nanodots can be grown at a temperature even higher than 700 °C while maintain their optical quality. (© 2008 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Ground state and vertical excitation energies of the diazene isomers with the coupled cluster method
Authors: Szopa Katarzyna , Musiał Monika , Kucharski Stanisław A. 
Published: May 2008

AbstractState‐of‐the‐art coupled cluster methods were used to study ground and excited states of the diazene isomers. Three coupled cluster variants were applied in the ground state calculations: CCSD, CCSDT, and CCSDT(Qf) for basis sets up to aug‐cc‐pV5Z. The ground state equilibrium geometry was found using combination of the analytical and numerical gradients. The computed values compare very well with experimental data if the latter are available. The vertical excitation energies were obtained with the EOM‐CCSD and EOM‐CCSDT approaches for the same set of basis sets. The importance of the connected triple excitations in the accurate evaluation of the excitation energy is discussed. Out of the four lowest lying excited states studied for each isomer at least one belongs to the category for which an inclusion of triple excitations is crucial for its adequate description. © 2008 Wiley Periodicals, Inc. Int J Quantum Chem, 2008
Structure and properties of disiloxane: An ab initio and post‐Hartree–Fock study
Authors: Al Derzi Afaf R. , Gregušová Adriana , Runge Keith , Bartlett Rodney J. 
Published: May 2008

AbstractAs a prototype of the SiOSi bonding region for silica modeling, especially the highly flexible SiOSi angle deformation, we studied the structure of disiloxane (H3SiOSiH3), with ab initio calculations on the SCF, MBPT (2), CCSD, and CCSD(T) levels of theory. The convergence of the results is studied for a series of basis sets of increasing quality. Large basis sets including f functions are necessary to obtain reliable results for the structure and the barrier to linearization of the molecule. The following structure and energy parameters are the results of CCSD(T)‐fc/cc‐pVTZ calculations: SiO distance is 1.645Å, the SiOSi angle 145.3°, and the barrier to linearization 0.48 kcal/mol. © 2008 Wiley Periodicals, Inc. Int J Quantum Chem, 2008
Coupled‐cluster corrected MR‐CISD method with noniterative evaluation of connected triples
Authors: Meissner Leszek 
Published: May 2008

AbstractThe single‐reference coupled‐cluster (CC) analysis of the multi‐reference configuration interaction singles and doubles (MR‐CISD) wave function shows how the MR‐CISD results can be used to mimic more effective exponential cluster expansion. The CC corrections have been constructed relying on this analysis and used to improve the accuracy of the MR‐CISD energy and reduce the inextensivity error of the MR‐CISD method. Disconnected contributions that approximate those components which are not present in the MR‐CISD wave function generate the correction terms. Although the linear CI expansion is usually improved through the inclusion of disconnected contributions the coupled‐cluster methodology introduces a variety of corrections that, contrary to the CI case, account for higher excitation rank connected components. In this article, we present a combination of both approaches and illustrate its performance on some numerical examples. © 2008 Wiley Periodicals, Inc. Int J Quantum Chem, 2008
Response of sandhill crane (Grus canadensis) riverine roosting habitat to changes in stage and sandbar morphology
Authors: Kinzel Paul J. , Nelson Jonathan M. , Heckman Ashley K. 
Published: May 2008

AbstractOver the past century, flow regulation and vegetation encroachment have reduced active channel widths along the central Platte River, Nebraska. During the last two decades, an annual program of in‐channel vegetation management has been implemented to stabilize or expand active channel widths. Vegetation management practices are intended to enhance riverine habitats which include nocturnal roosting habitat for sandhill cranes. Evaluating the success of other management treatments such as streamflow modification requires an understanding of how flow shapes the sandbars in the river and how sandbar morphology interacts with flow to create crane habitat. These linkages were investigated along a 1‐km managed river reach by comparing the spatial pattern of riverine roosts and emergent sandbars identified with aerial infrared imagery to variables computed with a two‐dimensional hydraulic model. Nocturnal observations made multiple years showed that the area and patterns of riverine roosts and emergent sandbars and the densities of cranes within roosts changed with stage. Despite sandbar vegetation management, low flows were concentrated into incised channels rather than spread out over broad sandbars. The flow model was used to compute hydraulic variables for identical streamflows through two sandbar morphologies; one following a period of relatively high flow and the other following the low‐flow period. Compared with the simulation using the morphology from the antecedent high flow, the simulation using the morphology from the antecedent low flow produced a smaller quantity of available wetted area. These remote‐sensing observations and hydraulic simulations illustrate the importance of considering flow history when designing streamflows to manage in‐channel habitat for cranes. Published in 2008 by John Wiley & Sons, Ltd.
Chandelier cartridges in the prefrontal cortex are reduced in isolation reared rats
Authors: Bloomfield Claire , French Sarah J. , Jones Declan N.C. , Reavill Charlie , Southam Eric , Cilia Jackie , Totterdell Susan 
Published: May 2008

AbstractChandelier neurons are a subset of parvalbumin containing cortical interneurons characterised by their preferential targeting of the axon initial segments of pyramidal neurons. They have been the focus of recent interest after evidence that the arrays of boutons are reduced in the prefrontal cortex of schizophrenic patients, post mortem. Since one chandelier neuron may innervate the axon initial segments of several hundred pyramidal neurons, it is hypothesized that their special connectivity might facilitate synchronisation of cortical outputs and play a key role in working memory. Disruption in their function is therefore thought to play a potentially important role in cortically associated symptoms of schizophrenia. Using the isolation rearing animal model of schizophrenia, we examined immunolabelling for GABA‐transporter 1, a marker of chandelier cartridges. We show that the numbers of arrays of chandelier axons are reduced by 36% in the ventral prelimbic cortex of isolation‐reared rats, compared with their socially‐housed litter mates. This mimics findings in the PFC of schizophrenic patients where GAT‐1‐positive cartridges are reduced by 40% and is the first study to demonstrate changes in chandelier cartridges in an animal model of schizophrenia. Synapse 62:628–631, 2008. © 2008 Wiley‐Liss, Inc.
Postnatal binge‐like alcohol exposure reduces spine density without affecting dendritic morphology in rat mPFC
Authors: Whitcher Lee T. , Klintsova Anna Y. 
Published: May 2008

AbstractAmong the deficits associated with fetal alcohol syndrome (FAS), cognitive impairments are the most debilitating and permanent. These impairments, including deficits in goal‐directed behavior, attention, temporal planning, and other executive functions, could result from damage to the prefrontal cortex (PFC), an area that has not been studied sufficiently in the context of FAS. Neuronal connectivity in this area, as measured by distribution of dendritic spines and the complexity of dendritic tree structure, can be influenced by exogenous variables other than alcohol, and the neuronal connectivity in other brain regions can be affected by alcohol exposure. The goal of this study was to determine whether binge‐like alcohol exposure on postnatal days (PD) 4–9 affects dendritic spine density and other dendritic tree parameters in mPFC that could possibly underlie functional damage. Rats were intubated with alcohol [5.25 g/kg/day; alcohol exposed (AE)], sham intubated (SI), or remained with the mother (SC, suckle control) on PD 4–9. Animals were sacrificed between PD 26 and PD 30 and brains were processed for Golgi‐Cox staining. Apical dendrite complexity and spine density were evaluated for layer III neurons in the mPFC using NeuroLucida software (MicroBrightField, Inc.). Spine density was significantly decreased in AE animals relative to SI and SC controls, but no differences in dendritic complexity were found across experimental groups. Our findings demonstrate that neonatal alcohol exposure has a persistent effect on the spine density in mPFC that can explain functional deficits in this cortical area. Synapse 62:566–573, 2008. © 2008 Wiley‐Liss, Inc.
Depression, comorbidities and the TNF-α system
Authors: Himmerich H. , Fulda S. , Linseisen J. , Seiler H. , Wolfram G. , Himmerich S. , Gedrich K. , Kloiber S. , Lucae S. , Ising M. , Uhr M. , Holsboer F. , Pollmächer T. 
Published: May 2008

AbstractDepression has frequently been reported to be associated with other physical diseases and changes in the cytokine system. We aimed to investigate associations between a medical history of depression, its comorbidities and cytokine plasma levels in the Bavarian Nutrition Survey II (BVS II) study sample and in patients suffering from an acute depressive episode.The BVS II is a representative study of the Bavarian population aged 13–80 years. The disease history of its 1050 participants was assessed through face-to-face interviews. A sub-sample of 568 subjects and 62 additional acutely depressed inpatients of the Max Planck Institute of Psychiatry participated in anthropometric measurements and blood sampling. Tumor necrosis factor-α (TNF-α) and soluble TNF receptor (sTNF-R) p55 and sTNF-R p75 plasma levels were measured using enzyme-linked immunosorbent assays.A history of depression was associated with a higher incidence of high blood pressure, peptic ulcer, dyslipoproteinemia, osteoporosis, allergic skin rash, atopic eczema and thyroid disease.Within the BVS II sample, participants with a history of depression differed from subjects who had never had depression with regard to sTNF-R p55 and sTNF-R p75 levels even when controlling for age, BMI and smoking status. Acutely depressed inpatients showed even higher levels of sTNF-R p55 and sTNF-R p75 than subjects in the normal population. TNF-α levels were also significantly elevated in acutely depressed patients.These results confirm earlier studies regarding the comorbidities of depression and support the hypothesis that activation of the TNF-α system may contribute to the development of a depressive disorder.
Tyrosine promotes oxidative stress in cerebral cortex of young rats
Authors: Sgaravatti Ângela M. , Vargas Bethânia A. , Zandoná Bernardo R. , Deckmann Kátia B. , Rockenbach Francieli J. , Moraes Tarsila B. , Monserrat José M. , Sgarbi Mirian B. , Pederzolli Carolina D. , Wyse Angela T.S. , Wannmacher Clóvis M.D. , Wajner Moacir , Dutra‐Filho Carlos Severo 
Published: May 2008

AbstractTyrosine accumulates in inborn errors of tyrosine catabolism, especially in tyrosinemia type II, where tyrosine levels are highly elevated in tissues and physiological fluids of affected patients. In tyrosinemia type II, high levels of tyrosine are correlated with eyes, skin and central nervous system disturbances. Considering that the mechanisms of brain damage in these disorders are poorly known, in the present study, we investigated whether oxidative stress is elicited by l‐tyrosine in cerebral cortex homogenates of 14‐day‐old Wistar rats. The in vitro effect of 0.1–4.0 mM l‐tyrosine was studied on the following oxidative stress parameters: total radical‐trapping antioxidant potential (TRAP), total antioxidant reactivity (TAR), ascorbic acid content, reduced glutathione (GSH) content, spontaneous chemiluminescence, thiobarbituric acid‐reactive substances (TBA‐RS), thiol‐disulfide redox state (SH/SS ratio), protein carbonyl content, formation of DNA‐protein cross‐links, and the activities of the enzymes superoxide dismutase (SOD), catalase (CAT), glutathione peroxidase (GPx), and glucose‐6‐phosphate dehydrogenase (G6PDH). TRAP, TAR, ascorbic acid content, SH/SS ratio and CAT activity were significantly diminished, while formation of DNA‐protein cross‐link was significantly enhanced by l‐tyrosine in vitro. In contrast, l‐tyrosine did not affect the other parameters of oxidative stress evaluated. These results indicate that l‐tyrosine decreases enzymatic and non‐enzymatic antioxidant defenses, changes the redox state and stimulates DNA damage in cerebral cortex of young rats in vitro. This suggests that oxidative stress may represent a pathophysiological mechanism in tyrosinemic patients, in which this amino acid accumulates.