bluuebunny/crossref_metadata_2025_split huggingface dataset:
Influence of Mg2+ on the Guanine–Cytosine Tautomeric Equilibrium: Simulations of the Induced Intermolecular Proton Transfer
Authors: Cerón‐Carrasco José P. , Jacquemin Denis 
Published: September 2011

AbstractMetallic ions are essential for stabilizing the nucleic acid structure, and are also involved in the majority of RNA and DNA biological functions. However, at large concentrations metals may play an opposite role by promoting alterations in the genetic code (mutagenicity). To contribute to the understanding of this effect, theoretical tools are used to investigate the influence of the magnesium dication on the guanine–cytosine (GC) base pair structure and stability. To this end, a fully hydrated Mg2+ cation is inserted in two models: an isolated GC base pair, and a more realistic DNA model corresponding to a hydrated double‐stranded trimer. Calculations performed with a hybrid ONIOM approach reveal that the Mg2+ cation coordination to the GC base pair alters drastically the natural tautomeric equilibria in DNA by promoting single proton transfer. Nevertheless, the generated rare tautomer will have a limited impact on the total spontaneous mutation due to the low back‐reaction barrier allowing a quick return to the canonical form. Additionally, it is demonstrated that the major effects of biological environment arise from the hydration and stacking influence, whereas the impact of phosphate groups is minor.
A Method for Conformational Sampling of Loops in Proteins Based on Adiabatic Decoupling and Temperature or Force Scaling
Authors: Kunz Anna‐Pitschna E. , van Gunsteren Wilfred F. 
Published: September 2011

AbstractA method for conformational Boltzmann sampling of loops in proteins in aqueous solution is presented that is based on adiabatic decoupling molecular dynamics (MD) simulation with temperature or force scaling. To illustrate the enhanced sampling, the loop from residues 33 to 43 in the bovine protein ribonuclease A is adiabatically decoupled from the rest of the protein and the solvent with a mass scaling factor sm=1000 and the sampling is enhanced with a scaling of the temperature using sT=2 or of the force using sV=0.667. Over 5 ns of simulation the secondary structure of the protein remains unaltered while a combined dihedral‐angle conformational cluster analysis shows an increase of conformations outside the first most populated cluster of loop conformations for adiabatic decoupling MD with temperature scaling using sT=2 or force scaling using sV=0.667 compared to the standard MD simulation. The atom‐positional root‐mean‐square fluctuations of the Cα atoms of the loop show an increase in the movement of the loop as well, indicating that adiabatic decoupling MD with upscaling of the temperature or downscaling of the force is a promising method for conformational Boltzmann sampling.
Ultrafast Photochemistry of Dithizonatophenylmercury(II)
Authors: Schwoerer Heinrich , von Eschwege Karel G. , Bosman Gurthwin , Krok Patrizia , Conradie Jeanet 
Published: September 2011

AbstractThe initial photochromic reaction of dithizonatophenylmercury(II) in solution was investigated by femtosecond transient absorption spectroscopy. Ultrafast excitation within less than 100 fs caused a radiationless photoreaction with a time constant of 1.5 ps, which is interpreted as CN isomerization through a conical intersection. The orthogonally twisted intermediate state was observed through its excited‐state absorption. Bifurcation along pathways towards the ground states of the orange cis and blue trans configurations occurs below the funnel of the conical intersection. The photochromism of the title compound in a very polar solvent such as methanol is observed for the first time.
Simultaneous Visualization of Surface Topography and Concentration Field by Means of Scanning Electrochemical Microscopy Using a Single Electrochemical Probe and Impedance Spectroscopy
Authors: Pähler Maike , Schuhmann Wolfgang , Gratzl Miklós 
Published: September 2011

AbstractScanning electrochemical microscopy visualizes concentration profiles. To determine the location of the probe relative to topographical features of the substrate, knowledge of the probe‐to‐sample distance at each probe position is required. The use of electrochemical impedance spectroscopy for obtaining information on the substrate‐to‐probe distance and on the concentration of interest using the electrochemical probe alone is suggested. By tuning the frequencies of interrogation, the probe‐to‐substrate distance can be derived followed by interrogation of processes that carry information on concentration at lower frequencies. These processes may include charge‐transfer relaxation, diffusional relaxation at the electrode, and open‐circuit potential at zero frequency. A potentiometric chloride sensing microprobe is used herein to reconstruct both topography and the concentration field at a microscopic diffusional source of chloride.
Using Plan Analysis in Psychotherapeutic Case Formulation of Borderline Personality Disorder
Authors: Berthoud Laurent , Kramer Ueli , de Roten Yves , Despland Jean‐Nicolas , Caspar Franz 
Published: September 2011

A comprehensive understanding of the patient's problems is essential for a constructive therapeutic behaviour, especially in borderline personality disorder (BPD) where difficult interpersonal patterns are persistent. In these circumstances, the use of an integrative case formulation approach such as Plan Analysis, developed by K. Grawe and F. Caspar, can be of help for therapy planning. The focus here is on instrumental relations between behaviours and the hypothetical Plans and motives ‘behind’ those behaviours.The present qualitative study aimed at setting a prototypical Plan structure for n = 15 patients presenting a Diagnostic and Statistical Manual of Mental Disorders, Fourth Edition, diagnosis of BPD using Plan Analysis. The first psychotherapeutic session of every outpatient was video‐taped and evaluated according to the Plan Analysis procedure. Inter‐rater reliability was established between two independent raters and was considered sufficient.The detailed prototypical Plan structure of BPD showed two main tendencies: first, the important presence of support‐seeking among these patients and second, the will to be in control and to protect oneself. This study confirms the existence of several core similarities in the functioning of patients with BPD. These findings are in line with earlier studies and expand the latter with the aim of contributing to the understanding of BPD psychopathology. Clinical implications are discussed. Copyright © 2011 John Wiley & Sons, Ltd.Key Practitioner Message

Plan Analysis can especially be of help with patients who have difficult interpersonal patterns, as those presenting with BPD.
Two tendencies were found within BPD patients: (1) support‐seeking and (2) control and self‐protecting Plans.
Further research using Plan Analysis should focus on the identification and detail of emotions within BPD.
Three‐Dimensionally Ordered Macroporous Titania with Structural and Photonic Effects for Enhanced Photocatalytic Efficiency
Authors: Wu Min , Li Yu , Deng Zhao , Su Bao‐Lian 
Published: September 2011

AbstractThe three dimensional photonic crystals concept has been employed for photocatalysis. Slow photons observed in photonic crystal structures will enhance the absorption of materials when the photon energy matches the absorbance of the materials, which would improve the photocatalytic efficiency. In this work, three dimensionally ordered macroporous (3DOM) titania was prepared by applying the colloidal templating method with a range of pore diameters. Calcination at different temperatures to remove the templates resulted in different crystalline phases. The structural and photonic properties were characterized and their effects on photocatalytic activity are presented as well. A strong effect of the pore diameter on the photocatalytic activity was observed and correlated with the photon energy involved in the photodegradation process of organics. A very interesting phenomenon was also observed: the sample prepared by using PS spheres of 250 nm had a high photocatalytic efficiency, which mismatched the effect of pore diameter, probably owing to the slow photon effect.
Hydrogen Production by Photoelectrochemically Splitting Solutions of Formic Acid
Authors: Li Lei , Guo Wenliang , Zhu Yusong , Wu Yuping 
Published: September 2011

AbstractA TiO2/FTO (FTO=fluorine‐doped tin oxide) electrode was prepared by dip‐coating FTO in a suspension of TiO2 prepared from a sol–gel method and was used as a photoanode to split an aqueous solution of formic acid to produce hydrogen. The surface of the TiO2/FTO film was covered with assemblies of TiO2 nanoparticles with a diameter of approximately 20 nm. Under irradiation by using a Xe lamp, splitting of formic acid was performed at different applied current densities. Compared to splitting water or utilizing FTO and Pt foil as the anode, the splitting voltage is much lower and can be as low as −0.27 V. The results show that the splitting voltage is related to the concentration of free formate groups. The evolution rate of hydrogen measured by using gas chromatography is 130 μmol h−1 at a current density of 20 mA cm−2 and the energy‐conversion efficiency can be 1.79 %. Photoelectrolysis of formic acid has the potential to be an efficient way to produce hydrogen with a high energy‐conversion efficiency.
Thermal Oxidation of Parylene X
Authors: Senkevich Jay J. 
Published: September 2011

AbstractUp until recently the only parylene polymers that existed were linear chain polymers, the most common of which are poly(p‐xylylene) (parylene N) and poly(chloro‐p‐xylylene) (parylene C). Both of these polymers have a strong sensitivity towards oxygen and UV light in the presence of oxygen. They are both reactive towards oxygen and subsequently lose mass via chain scission, however cross‐linked or networked polymers have much different degradation mechanisms since chain scission is not readily available due to the connectivity of the polymer chains. In this study it is observed that poly(ethynyl‐p‐xylylene)‐co‐poly(p‐xylylene) (parylene X) is stable to 300 °C in air for one hour after a 1 h post‐deposition vacuum anneal at 380 °C, whereas parylene N is stable to just 200 °C for 1 h in air under the same conditions, for 1705 Å and 1826 Å thin films, respectively. After 1000 h at 150 °C in air, parylene X loses little if no film thickness (<0.2%), whereas parylene N loses 7%; however, chain scission is initiated in the parylene X thin films at 362 h. Chain scission is also observed with the birefringence data and in the infrared spectroscopy spectra. The data do not suggest parylene X is more stable than parylene N, but rather its degradation mechanism is much different due to its networked structure, which may have implications for its thermo‐mechanical properties. Infrared spectroscopic and ellipsometric data will be presented as a function of time and temperature for both the aforementioned polymers.
Growth of Atomically Smooth Epitaxial Nickel Ferrite Films by Direct Liquid Injection CVD
Authors: Li Ning , Wang Yu‐Hsiang A. , Iliev Milko N. , Klein Tonya M. , Gupta Arunava 
Published: September 2011

AbstractMagnetoelectric heterostructures are being actively investigated for utilization in next generation microwave devices such as tunable filters and phase shifters. For efficient microwave absorption and magnetoelectric coupling, relatively thick (>1 µm) epitaxial spinel ferrite films with smooth topographies are required for the magnetic/ferroelectric heterostructures. Towards this goal, direct liquid injection (DLI)‐CVD has been utilized for epitaxial growth of nickel ferrite (NiFe2O4) films on MgAl2O4 (100) and MgO (100) substrates with high deposition rates. Anhydrous Ni(acac)2 and Fe(acac)3 (acac = acetylacetonate) are used as precursor sources dissolved in N,N‐dimethyl formamide for the DLI vaporizer system. The influence of deposition temperature on the film properties has been investigated using optimized process conditions for flow of the injected precursors and oxygen. Epitaxial nickel ferrite films of stoichiometric composition are obtained in the temperature range 500–800 °C on both substrates with growth rates in the range 0.6–1.1 µm h−1. Because of changes in the surface diffusion behavior, the film morphology is found to be dependent on the deposition temperature with atomically smooth films being obtained for deposition in the temperature range 600–700 °C. Magnetic measurements reveal an increase in the saturation magnetization for the films with increasing growth temperature, which correlates well with the trend for improved epitaxial growth as indicated by X‐ray and Raman spectroscopy measurements. Nickel ferrite films deposited on MgAl2O4 (100) at 800 °C exhibit saturation magnetization very close to the bulk value of 300 emu cm−3.
In vivo photoacoustic and photothermal cytometry for monitoring multiple blood rheology parameters
Authors: Galanzha Ekaterina I. , Zharov Vladimir P. 
Published: September 2011

AbstractAlterations of blood rheology (hemorheology) are important for the early diagnosis, prognosis, and prevention of many diseases, including myocardial infarction, stroke, sickle cell anemia, thromboembolism, trauma, inflammation, and malignancy. However, real‐time in vivo assessment of multiple hemorheological parameters over long periods of time has not been reported. Here, we review the capabilities of label‐free photoacoustic (PA) and photothermal (PT) flow cytometry for dynamic monitoring of hemorhelogical parameters in vivo which we refer to as photoacoustic and photothermal blood rheology. Using phenomenological models, we analyze correlations between both PT and PA signal characteristics in the dynamic modes and following determinants of blood rheology: red blood cell (RBC) aggregation, deformability, shape (e.g., as in sickle cells), intracellular hemoglobin distribution, individual cell velocity, hematocrit, and likely shear rate. We present ex vivo and in vivo experimental verifications involving high‐speed PT imaging of RBCs, identification of sickle cells in a mouse model of human sickle cell disease and in vivo monitoring of complex hemorheological changes (e.g., RBC deformability, hematocrit and RBC aggregation). The multi‐parameter platform that integrates PT, PA, and conventional optical techniques has potential for translation to clinical applications using safe, portable, laser‐based medical devices for point‐of‐care screening of disease progression and therapy efficiency. © 2011 International Society for Advancement of Cytometry
Flow cytometry as a tool for analyzing changes in Plasmodium falciparum cell cycle following treatment with indol compounds
Authors: Schuck Desirée Cigaran , Ribeiro Ramira Yuri , Nery Arthur A. , Ulrich Henning , Garcia Célia R. S. 
Published: September 2011

AbstractMelatonin and its derivatives modulate the Plasmodium falciparum and Plasmodium chabaudi cell cycle. Flow cytometry was employed together with the nucleic acid dye YOYO‐1 allowing precise discrimination between mono‐ and multinucleated forms of P. falciparum‐infected red blood cell. The use of YOYO‐1 permitted excellent discrimination between uninfected and infected red blood cells as well as between early and late parasite stages. Fluorescence intensities of schizont‐stage parasites were about 10‐fold greater than those of ring‐trophozoite form parasites. Melatonin and related indolic compounds including serotonin, N‐acetyl‐serotonin and tryptamine induced an increase in the percentage of multinucleated forms compared to non‐treated control cultures. YOYO‐1 staining of infected erythrocyte and subsequent flow cytometry analysis provides a powerful tool in malaria research for screening of bioactive compounds. © 2011 International Society for Advancement of Cytometry
The ever‐changing brain: Cellular and molecular mechanisms for the effects of stressful experiences
Authors: McEwen Bruce S. 
Published: September 2011

AbstractThe adult brain is capable of considerable structural and functional plasticity and the study of hormone actions in brain has contributed to our understanding of this important phenomenon. In particular, stress and stress‐related hormones such as glucocorticoids and mineralocorticoids play a key role in the ability of acute and chronic stress to cause reversible remodeling of neuronal connections in the hippocampus, prefrontal cortex, and amygdala. To produce this plasticity, these hormones act by both genomic and non‐genomic mechanisms together with ongoing, experience‐driven neural activity mediated by excitatory amino acid neurotransmitters, neurotrophic factors such as brain derived neurotrophic factor, extracellular molecules such as neural cell adhesion molecule, neuropeptides such as corticotrophin releasing factor, and endocannabinoids. The result is a dynamic brain architecture that can be modified by experience. Under this view, the role of pharmaceutical agents, such as antidepressants, is to facilitate such plasticity that must also be guided by experiences. © 2011 Wiley Periodicals, Inc. Develop Neurobiol 72: 878–890, 2012
The identification of different endothelial cell populations within the mouse proepicardium
Authors: Cossette Stephanie , Misra Ravi 
Published: September 2011

AbstractThe proepicardium is a transient embryonic structure that is a source of precursors of the epicardium, coronary smooth muscle cells, and may be a source of coronary endothelial cells (EC). To better understand proepicardium development a systematic analysis of EC appearance was performed. Multiple marker analysis showed that EC are present in the mouse proepicardium at embryonic day (E) 9.0 through E9.75. Distinct populations of EC were found that were associated with the liver bud, and the sinus venosus, as well as a population that do not appear to be associated with either of these structures. There was a temporal increase in the number of EC and temporal changes in the distribution of EC within the different populations during PE development. These findings indicate that EC exist in the proepicardium before coronary vasculogenesis, and support a model in which there is a heterogeneous origin for EC in the proepicardium. Developmental Dynamics 240:2344–2353, 2011. © 2011 Wiley‐Liss, Inc.
Septin1 is required for spindle assembly and chromosome congression in mouse oocytes
Authors: Zhu Jinliang , Qi Shu‐Tao , Wang Ya‐Peng , Wang Zhen‐Bo , Ouyang Ying‐Chun , Hou Yi , Schatten Heide , Sun Qing‐Yuan 
Published: September 2011

AbstractThe bipolar spindle is a complex molecular machinery that drives chromosome congression and segregation. During meiosis in the mouse multiple microtubule organizing centers aggregate to form a bipolar intermediate followed by elongation and establishment of the barrel‐shaped acentriolar meiotic spindle. Previous studies have shown that septin1 is localized to spindle poles in mitosis, suggesting its possible involvement in spindle assembly. We, therefore, asked whether perturbation of septin1 will impair the process of spindle assembly and investigated localization and function during mouse oocyte meiotic maturation. Septin1 was localized to the spindle at metaphase and at the midbody during cytokinesis. Disruption of septin1 function using siRNA caused a decrease in PBE and extensive spindle defects. Moreover, the process of chromosome congression was impaired. However, septin1 depletion did not cause aneuploidy in oocyte with an extruded polar body. Taken together, our results show that septin1 is a key player in spindle assembly and chromosome congression in mouse meiosis. Developmental Dynamics 240:2281–2289, 2011. © 2011 Wiley‐Liss, Inc.
X chromosome inactivation: A silence that needs to be broken
Authors: Basu Reelina , Zhang Li‐Feng 
Published: September 2011

AbstractEach mammalian female cell transcriptionally inactivates one X chromosome to balance X‐linked gene dosage between males and females. This phenomenon, called X chromosome inactivation, is a perfect epigenetic event, in which two chromosomes with identical DNA sequences are solely distinguished by epigenetic modifications. In this case, epigenetic marks, such as histone modifications, histone variants, DNA methylation, and ncRNAs, are all enriched on one chromosome, the inactive X chromosome (Xi), to establish its chromosome‐wide gene silencing. At face value, it seems that the gene silencing mechanism of Xi is well understood. However, the “silence” of Xi in somatic cells is so tightly maintained that it remains largely intact even after almost all known epigenetic modifications are artificially depleted. To understand how the gene silence of Xi is maintained in soma is a major challenge in current research. We summarize the current knowledge related with this issue and discuss future research directions. genesis 49:821–834, 2011. © 2011 Wiley‐Periodicals, Inc.
The clinician administered staging instrument for anorexia nervosa: Development and psychometric properties
Authors: Maguire Sarah , Touyz Stephen , Surgenor Lois , Crosby Ross D. , Engel Scott G. , Lacey Hubert , Heywood‐Everett Suzanne , Le Grange Daniel 
Published: September 2011

AbstractObjective:To develop and evaluate an instrument to assess severity in anorexia nervosa (AN), the Clinician Administered Staging Instrument for Anorexia Nervosa (CASIAN).Method:Candidate items for the CASIAN were developed in three phases (domain, content, and item generation) followed by a pilot study. The psychometric properties of the resultant 34‐item questionnaire were investigated in cross‐sectional and longitudinal samples (N = 171) with DSM‐IV AN and subthreshold AN.Results:Item and factor analysis procedures resulted in a refined 23‐item CASIAN comprising of six factors (“Motivation,” “Weight,” “Illness Duration,” “Obsessionality,” “Bulimic Behaviors,” and “Acute Issues”). The CASIAN had high internal consistency (.811), test–retest (.957), and interrater reliability (.973). Preliminary support for the convergent, discriminant, concurrent, and predictive validity of the CASIAN was found.Discussion:The CASIAN is a psychometrically sound instrument. Further studies are needed to confirm the factor structure and assess its clinical and research utility. © 2011 by Wiley Periodicals, Inc. (Int J Eat Disord 2012)
A systematic review of dropout from treatment in outpatients with anorexia nervosa
Authors: DeJong Hannah , Broadbent Hannah , Schmidt Ulrike 
Published: September 2011

AbstractOBJECTIVE:Dropout from treatment has serious implications for patients, clinicians, and researchers. The aim of this study was to examine rates of dropout from outpatient treatment for anorexia nervosa (AN) and critically examine the various definitions of dropout used.METHOD:A systematic review was conducted, including pharmacological and psychological interventions. All articles in PubMed, Web of Science, and the Cochrane Library were considered, and screened against a priori inclusion/exclusion criteria. Relationships between treatment outcome and dropout rate were examined across studies.RESULTS:Nineteen relevant studies were identified, with dropout rates ranging from 4.8% (family therapy) to 100% (dietary advice). In most cases, dropout was in the range of 20–40%. Definitions of dropout used varied widely. A significant negative correlation was found between rate of dropout and body mass index (BMI) at 1 year, but this did not remain significant when differences in BMI at baseline were taken into account.DISCUSSION:High rates of dropout from treatment for AN have serious implications for recovery, research, and the development of new treatments. A suggested reporting structure is proposed, with the aim of increasing the consistency of dropout reporting and facilitating greater understanding of this phenomenon. © 2011 by Wiley Periodicals, Inc. (Int J Eat Disord 2011)