bluuebunny/crossref_metadata_2025_split huggingface dataset:
Investigating the plant response to cadmium exposure by proteomic and metabolomic approaches
Authors: Villiers Florent , Ducruix Céline , Hugouvieux Véronique , Jarno Nolwenn , Ezan Eric , Garin Jérôme , Junot Christophe , Bourguignon Jacques 
Published: March 2011

AbstractMonitoring molecular dynamics of an organism upon stress is probably the best approach to decipher physiological mechanisms involved in the stress response. Quantitative analysis of proteins and metabolites is able to provide accurate information about molecular changes allowing the establishment of a range of more or less specific mechanisms, leading to the identification of major players in the considered pathways. Such tools have been successfully used to analyze the plant response to cadmium (Cd), a major pollutant capable of causing severe health issues as it accumulates in the food chain. We present a summary of proteomics and metabolomics works that contributed to a better understanding of the molecular aspects involved in the plant response to Cd. This work allowed us to provide a finer picture of general signaling, regulatory and metabolic pathways that appeared to be affected upon Cd stress. In particular, we conclude on the advantage of employing different approaches of global proteome‐ and metabolome‐wide techniques, combined with more targeted analysis to answer molecular questions and unravel biological networks. Finally, we propose possible directions and methodologies for future prospectives in this field, as many aspects of the plant–Cd interaction remain to be discovered.
Analysis of the xylem sap proteome of Brassica oleracea reveals a high content in secreted proteins
Authors: Ligat Laetitia , Lauber Emmanuelle , Albenne Cécile , Clemente Hélène San , Valot Benoît , Zivy Michel , Pont‐Lezica Rafael , Arlat Matthieu , Jamet Elisabeth 
Published: March 2011

AbstractXylem plays a major role in plant development and is considered part of the apoplast. Here, we studied the proteome of Brassica oleracea cv Bartolo and compared it to the plant cell wall proteome of another Brassicaceae, the model plant Arabidopsis thaliana. B. oleracea was chosen because it is technically difficult to harvest enough A. thaliana xylem sap for proteomic analysis. We studied the whole proteome and an N‐glycoproteome obtained after Concanavalin A affinity chromatography. Altogether, 189 proteins were identified by LC‐MS/MS using Brassica EST and cDNA sequences. A predicted signal peptide was found in 164 proteins suggesting that most proteins of the xylem sap are secreted. Eighty‐one proteins were identified in the N‐glycoproteome, with 25 of them specific of this fraction, suggesting that they were concentrated during the chromatography step. All the protein families identified in this study were found in the cell wall proteomes. However, proteases and oxido‐reductases were more numerous in the xylem sap proteome, whereas enzyme inhibitors were rare. The origin of xylem sap proteins is discussed. All the experimental data including the MS/MS data were made available in the WallProtDB cell wall proteomic database.
Survivor profiles predict health behavior intent: the Childhood Cancer Survivor Study
Authors: Cox Cheryl L. , Zhu Liang , Finnegan Lorna , Steen Brenda D. , Hudson Melissa M. , Robison Leslie L. , Oeffinger Kevin C. 
Published: March 2011

AbstractObjectives: To determine whether unique groups of adult childhood cancer survivors could be defined on the basis of modifiable cognitive, affective, and motivation indicators. Secondary objectives were to examine to what extent group membership co‐varied with more static variables (e.g. demographics, disease, and treatment) and predicted intent for subsequent medical follow‐up.Methods: Using latent class analysis of data from 978 participants (ages, 18–52 years; mean, 31; and SD, 8) in the Childhood Cancer Survivor Study, we classified survivors according to their worries about health, perceived need for follow‐up care, health motivation, and background variables. Intent to participate in medical follow‐up, as a function of class membership, was tested using equality of proportions.Results: The best‐fitting model (BIC = 18 540.67, BLMRT = <0.001) was characterized by three distinctive survivor classes (worried, 19%; self‐controlling, 26%; and collaborative, 55%) and three significant class covariates (gender, perceptions of health, and severity of late effects). A smaller proportion of survivors in the self‐controlling group (81%) than in the worried (90%) (P = 0.015) and collaborative (88%) (P = 0.015) groups intended to obtain a routine medical checkup. A smaller proportion of survivors in the self‐controlling group (32%) than in the collaborative (65%) (P = <0.001) and worried (86%) (P = <0.001) groups planned a cancer‐related check‐up. A smaller proportion of survivors in the collaborative group (65%) than in the worried group (86%) (P = <0.001) were likely to obtain a cancer‐related check‐up.Conclusions: Childhood cancer survivors can be classified according to the modifiable indicators. The classification is distinctive, predicts intent for future medical follow‐up, and can inform tailored interventions. Copyright © 2011 John Wiley & Sons, Ltd.
Does screening for distress efficiently uncover meetable unmet needs in cancer patients?
Authors: van Scheppingen Corinne , Schroevers Maya J. , Smink Ans , van der Linden Yvette M. , Mul Véronique E. , Langendijk Johannes A. , Coyne James C. , Sanderman Robbert 
Published: March 2011

AbstractObjectives: We evaluated screening for distress in terms of its ability to uncover unmet need for psychosocial services in cancer patients. Correlates of distress, need for services and met and unmet need for services were investigated.Methods: Immediately after cancer treatment (T1) and 2 months later (T2), 302 patients completed the Hopkins Symptom Checklist‐25 (HSCL‐25) and a single question assessing the need for services. All distressed patients (HSCL‐25⩾39) and non‐distressed patients endorsing a need for services were then called (n = 99) to assess their need.Results: Thirty‐seven percent (T1) and 31% (T2) of patients were distressed and 31% (T1) and 18% (T2) expressed the need for services. Both time points showed higher distress in younger patients and females and lower distress in prostate cancer and patients treated by radiotherapy only. Less need for services was found in prostate cancer (T1), greater need was related to being single (T1) and younger (T2). Distress and need for services were positively related (p<0.001). The HSCL‐25 showed modest sensitivity (T1: 0.59, T2: 0.65) and specificity (T1: 0.75, T2: 0.78) as an indicator of need for services. Interviews at T2 revealed that 51% of distressed patients needed no psychosocial services and 25% were already receiving services. At T2, regardless of distress level, 10% of all screened patients reported an unmet need for psychosocial services.Conclusions: Depending on the clinical context, screening might be more efficient if it assessed the unmet need for services rather than distress. More attention should be concentrated on directing patients with meetable unmet needs to available services. Copyright © 2011 John Wiley & Sons, Ltd.
Anxiety, depression, and life satisfaction in parents caring for children with cystic fibrosis
Authors: Besier Tanja , Born Anja , Henrich Gerhard , Hinz Andreas , Quittner Alexandra L. , Goldbeck Lutz ,   The TIDES Study Group
Published: March 2011

AbstractObjectiveTo assess the prevalence of symptoms of anxiety and depression and the extent of life satisfaction in parents caring for children with cystic fibrosis (CF) in Germany.MethodsThe study included 650 caregivers of 564 children with CF ages 0–17, who completed the Hospital Anxiety Depression Scale (HADS), the Center for Epidemiologic Studies Depression Scale (CES‐D) and the Questions on Life Satisfaction (FLZM).ResultsMore than one‐third (37.2%) of parents showed elevated levels of anxious symptoms, compared to 18.9% of a population sample (P ≤ 0.001) and significantly more parents reported elevated levels of depressive symptoms compared to a community sample (28% vs. 21%, P = 0.01). Higher levels of anxious and depressive symptoms were associated with lower life satisfaction (P < 0.001).ConclusionsHigh levels of anxious and depressive symptoms among parents of children with CF suggested that annual symptom screening is warranted. This will facilitate identification of those at risk and provide referrals and intervention for those who are in need of it. Pediatr. Pulmonol. 2011; 46:672–682. © 2011 Wiley‐Liss, Inc.
Soft magnetic multilayer films with wide frequency band losses and high resistivity
Authors: Ma Qiang 
Published: March 2011

AbstractA series of CoFeB/MgO multilayers was fabricated by means of DC/RF magnetron sputtering. It is observed that the electromagnetic properties of the multilayers of CoFeB/MgO are closely related with the thickness of CoFeB sublayers, and the soft magnetic properties of discontinuous multilayers are affected by the cycle number of CoFeB/MgO bilayers. The optimized film of [Co64Fe24B12(0.7 nm)/MgO(0.4 nm)]50 exhibits a magnetic loss µ″ larger than 100 and µ′ larger than 80 between 0.9 and 2.1 GHz. The electrical resistivity ρ of this film is as high as 3.75 × 103 µΩ cm. The results indicate that this discontinuous CoFeB/MgO multilayer film has potential to serve as a noise suppressor or EMC materials in the GHz frequency range.
Growth temperature dependence of the electrical and structural properties of epitaxial graphene on SiC(0001)
Authors: Vesapuisto E. , Kim W. , Novikov S. , Lipsanen H. , Kuivalainen P. 
Published: March 2011

AbstractEpitaxial graphene thin films were grown in an argon atmosphere by silicon sublimation from the (0001) faces of 4H‐SiC in a temperature range T = 1520–1710 °C. Surface morphology, structure and the electrical properties of the layers were studied using atomic force microscopy (AFM), Auger electron spectroscopy (AES), and the measurements of Hall effect mobilities and sheet carrier densities. We further improved the computational model for the analysis of the AES in the determination of the number of graphene layers on SiC. A narrow temperature window T = 1620–1650 °C was found that clearly maximizes the Hall effect mobility up to 400 cm2/Vs in the cases where also a graphene monolayer is formed. The rather low values of the Hall effect mobilities are explained using a barrier model where regions having low resistivity are separated by higher resistivity barrier regions related to the observed grain boundaries in the graphene films.
Synoptic analysis of the Pacific–North American teleconnection pattern
Authors: Franzke Christian , Feldstein Steven B. , Lee Sukyoung 
Published: March 2011

AbstractIn this study, we use various diagnostic techniques to investigate the synoptic evolution of the Pacific–North American teleconnection pattern (PNA). National Center for Environment Prediction/National Center for Atmospheric Research reanalysis data are used. These data cover the years 1948–2008 for the months of November–March. It is found that the positive PNA is initiated by enhanced convection over the western tropical Pacific and weakened convection over the tropical Indian Ocean. The excitation of the negative PNA exhibits opposite features. For both phases, the response to tropical convection excites a small‐amplitude PNA about 8–12 days prior to the pattern attaining its maximum amplitude. This is followed by slow, steady growth for about 5 days, after which driving by synoptic scale waves, via their eddy vorticity flux, together with stationary eddy advection lead to much more rapid growth and the establishment of the full PNA. For the positive PNA, the synoptic scale waves propagate eastward into the midlatitude northeastern Pacific, where they are observed to undergo cyclonic wave breaking. For the negative PNA, the synoptic scale waves first amplify over the midlatitude northeastern Pacific and then propagate equatorward into the Subtropics where they undergo anticyclonic wave breaking. Once established, for both phases, the PNA appears to be maintained through a positive feedback that involves a succession of wave breakings.These results suggest that preconditioning may play an important role in the formation of the PNA. For the positive PNA, in its early development, the strengthening and eastward extension of the subtropical jet result in an increase in the cyclonic shear and a decrease in the meridional potential vorticity gradient, features that are known to favour cyclonic wave breaking. For the negative PNA, opposite changes were observed for the background flow, which favour equatorward wave propagation and anticyclonic wave breaking. The role of optimal growth is also discussed. Our results also suggest that the PNA is potentially predictable 1–2 weeks in advance. Copyright © 2011 Royal Meteorological Society
Short‐wave and long‐wave radiative properties of Saharan dust aerosol
Authors: Osborne S. R. , Baran A. J. , Johnson B. T. , Haywood J. M. , Hesse E. , Newman S. 
Published: March 2011

AbstractThe radiative properties of mineral dust aerosol during the GERB Intercomparison of Long‐wave and Short‐wave (GERBILS) are presented. GERBILS consisted of aircraft flights over land areas between Mauritania and Niger during June 2007. During one case of large aerosol optical depth (AOD=1.0 at 0.55μm), a short‐wave spectrometer measured sky radiances versus scattering angle that are compared to modelled data. The modelling used phase functions of spheres, spheroids and irregular‐shaped particles using T‐matrix and ray‐tracing methods. Irregular particles provided the most satisfactory solution. In another case of full short‐wave and long‐wave radiative closure, measurements and modelled clear sky conditions allowed calculation of the direct radiative effect (DRE) at high and low level. The modelled AOD (0.92) required to simulate the measured spectral irradiances agrees with the aircraft AOD (0.79) within measurement uncertainty. The simulated irradiances are less sensitive to particle shape than radiances. However, it is shown through modelling of the surface and top‐of‐atmosphere (TOA) DRE over all daylight hours that significant differences exist at TOA due to variation in the asymmetry parameter. The TOA short‐wave diurnally averaged DRE was modelled as between 0 and –20 W m−2 depending on particle shape. A long‐wave interferometer measured downwelling and upwelling radiances to derive surface emissivity across the window region. Measured nadir brightness temperatures from high level show signature of dust. A drop in brightness temperature of 14K was determined using modelled pristine‐sky spectra. The modelled outgoing long‐wave DRE due to dust from this case was +14 W m−2 averaged over 24 h, or +17 W m−2 per unit AOD. Modelling studies illustrate the sensitivity to aerosol refractive index and size distribution for both short‐wave and long‐wave DREs. Considering the full spectrum, a refractive index dataset from the literature has been selected that best represents the Saharan dust encountered during GERBILS. Copyright © 2011 Royal Meteorological Society and British Crown Copyright, the Met Office
Downscaling projections of Indian monsoon rainfall using a non‐homogeneous hidden Markov model
Authors: Greene Arthur M. , Robertson Andrew W. , Smyth Padhraic , Triglia Scott 
Published: March 2011

AbstractDownscaled rainfall projections for the Indian summer monsoon are generated using a non‐homogeneous hidden Markov model (NHMM) and information from both a dense observational dataset and an ensemble of general circulation models (GCMs). The projections are conditioned on two types of GCM information, corresponding approximately to dynamic and thermodynamic components of precipitation change. These have opposing effects, with a weakening circulation compensating not quite half of the regional precipitation increase that might otherwise be expected. GCM information is taken at the largest spatial scales consistent with regional physics and modelling constraints, while the NHMM produces a disaggregation consistent with the observed fine‐scale spatiotemporal variability. Projections are generated using multimodel mean predictors, with intermodel dispersion providing a measure of the uncertainty due to GCM differences. The downscaled simulations exhibit small increases in the number of dry days, in the average length of dry spells, in mean daily intensity and in the exceedance frequency of nearly all daily rainfall percentiles. Copyright © 2011 Royal Meteorological Society
Investigation of ethynylpyridines using the electron propagator theory
Authors: Singh Raman K. , Mishra Manoj K. 
Published: March 2011

AbstractThe optimized geometry, dipole moment, and HOMO–LUMO gap for three monoethynylpyridines and six diethynylpyridines have been computed using DFT/B3LYP/6‐311++g(3df,3p) level of theory, and the first 11 vertical ionization energies and electron affinity of these compounds have been calculated using various electron propagator decouplings. The outer valence Green's function approximant of the electron propagator theory offers closest agreement with experimental photoelectron spectrum, and the results for structural suitability, dipole moment, HOMO–LUMO gap, ionization energies, and electron affinity indicate that 2‐ethynylpyridine among monoethynylpyridines and 2,6‐diethynylpyridine among diethynylpyridines may be useful precursors for the preparation of conducting polymers. © 2011 Wiley Periodicals, Inc. Int J Quantum Chem 112:426–439, 2012
The vibrational spectra of the boron halides and their molecular complexes. Part 13. Ab initio studies of the complexes of boron trifluoride with formaldehyde and some of its analogs
Authors: Ford Thomas A. 
Published: March 2011

AbstractThe structure, the interaction energy, and the vibrational spectrum of the electron donor–acceptor complex formed between boron trifluoride, as a Lewis acid, and formaldehyde, as a Lewis base, have been determined by means of ab initio calculations at the second‐order level of Møller–Plesset perturbation theory, using a triple‐zeta basis set with polarization and diffuse functions on all atoms. The object was to examine the differences in the properties of the complexes formed between boron trifluoride and an oxygen base containing oxygen in the sp2 hybrid state with those of some sp3 oxygen bases studied earlier. The investigation has then been extended to include the related bases thioformaldehyde and methanimine, to assess the effect of substituting the oxygen atom by a sulphur atom or an imino group. A further range of formaldehyde analogs, containing one and two methyl groups, one and two fluorine atoms, and one methyl group and one fluorine atom, has also been included. The preferred structure of each complex has been identified. The computed data have been compared, and the complex properties correlated with some relevant physical properties of the bases. © 2011 Wiley Periodicals, Inc. Int J Quantum Chem, 2012
Interpretation of the hydrogen anomaly in neutron and electron compton scattering
Authors: Karlsson Erik B. 
Published: March 2011

AbstractIn Compton scattering with neutrons in the energy range 20–120 eV, it has been observed that the relative H/M cross sections in a variety of H‐containing materials are 20–40% lower than expected from the composition ratio H/M (M being a heavier element in the same compound). The same phenomenon has also been observed in Compton scattering with electrons of 2 and 20 keV energy. There is, at present, no consensus about the reason for these anomalies. In this theory, they are explained as a result of interference when the scattering particle interacts with more than one hydrogen nucleus. The coherence volume of the actual setup, which limits the number of interfering particles, is therefore an important parameter. It is shown here that the large zero‐point motion of the hydrogen nuclei leads to reductions in the scattering intensity from interfering pairs. Coherence is preserved over the sub‐fs scattering times relevant for this process, even in the condensed systems studied. It is gradually lost when the scattering time is increased, which happens when the neutron energy is reduced (as reflected in lower anomalies for smaller scattering angles). Explicit expressions for the decoherence effect are presented and compared with experimental observation for a selection of observed H‐ and D‐containing systems. © 2011 Wiley Periodicals, Inc. Int J Quantum Chem, 2012
MRCI study on spectroscopic parameters and molecular constants of the ground state of AsP(X1Σ+) molecule
Authors: Liu Yu‐Fang , Jia Yi , Shi De‐Heng , Sun Jin‐Feng 
Published: March 2011

AbstractThe potential energy curve (PEC) for the ground state of AsP(X1Σ+) has been investigated by the highly accurate valence internally contracted multireference configuration interaction method in the Molpro2008 program package with the correlation consistent basis set. The PEC is fitted to the analytic Murrrell–Sorbie function (M–S function) from which the spectroscopic constants are determined. The present De, Be, αe, ωeχe, Re, and ωe values are of 4.2823 eV, 0.188622 cm−1, 0.000749 cm−1, 1.984427 cm−1, 2.0194 Å, and 598.60 cm−1, respectively. In addition, by numerically solving the radial Schrödinger equation of nuclear motion in the adiabatic approximation, the total of 96 vibration states is predicted when the rotational quantum number J = 0. The complete vibration levels, classical turning points, inertial rotation, and centrifugal distortion constants are reproduced. Comparison has been made with recent theoretical and experimental data. © 2011 Wiley Periodicals, Inc. Int J Quantum Chem, 2012
Understanding the chiral recognitions between neuraminidases and inhibitors: Studies with DFT, docking, and MD methods
Authors: Yang Zhiwei , Wu Xiaomin , Yang Gang , Zu Yuangang , Zhou Lijun 
Published: March 2011

AbstractThe chiral recognitions between various neuraminidases (NA) and 5‐[(1R,2S)‐1‐(acetylamino)‐2‐ methoxy‐2‐methylpentyl]‐4‐[(1Z)‐1‐propenyl)‐(4S,5R)]‐D‐proline (BL) stereoisomers have been theoretically studied. The zwitterions of BL are responsible for the bioactivities, and electrostatic rather than van der Waals (vdW) contributions play a significant role. With the presence of NA proteins, the orders of relative stabilities of the BL stereoisomers are greatly altered; meanwhile, the ranges are significantly enlarged, ensuring the respective recognitions of the BL9z, BL3z, BL2z, and BL1z stereoisomers by the N1, N2, N9 subtype, and B type NA proteins. It is mainly due to geometric complementarities of the NA active sites with the BL carboxyl and propenyl groups. The recognitions of proteins with chiral ligands are rather targeted, even applicable to N2 and N9 with high structural similarities. Thus, the significance of chirality is addressed for the designs of anti‐influenza drugs, which aids our understanding of chiral recognitions between proteins and ligands. © 2011 Wiley Periodicals, Inc. Int J Quantum Chem, 2011