bluuebunny/crossref_metadata_2025_split huggingface dataset:
Conformational Effects in Photoelectron Circular Dichroism of Alaninol
Authors: Turchini Stefano , Catone Daniele , Contini Giorgio , Zema Nicola , Irrera Simona , Stener Mauro , Di Tommaso Devis , Decleva Piero , Prosperi Tommaso 
Published: May 2009

AbstractA photoelectron circular dichroism (CD) study of the valence states of 2‐amino‐1‐propanol (alaninol) in the gas phase is presented. The aim of the investigation is to reveal conformer population effects in the valence‐state photoelectron spectrum. The experimental dispersion of the dichroic D parameter of valence states as a function of the photon excitation energy is compared with its theoretical value calculated by employing a multicentric basis set of B‐spline functions and a Kohn–Sham Hamiltonian. The theoretical values are in very good agreement with the experimental data when the conformer population distribution is taken into account. Moreover, thanks to a comparison between experiment and theory, a clear assignment of the molecular orbital character and conformer geometry is given to the features of the photoelectron spectrum. This work indicates in a detailed experimental analysis that CD in photoelectron spectroscopy is an effective technique to disentangle the conformer assignment in photoelectron spectra.
Theory of Long‐Range Diffusion of Proteins on a Spherical Biological Membrane: Application to Protein Cluster Formation and Actin‐Comet Tail Growth
Authors: Amatore Christian , Oleinick Alexander I. , Klymenko Oleksiy V. , Svir Irina 
Published: May 2009

AbstractDiffusional recruitment of proteins: Classical Brownian motion analysis describes the long‐range movements of biomolecules on a spherical biological membrane. This protein diffusion process is prerequisite for the assembly of proteins which then cooperatively catalyze the polymerization of actin monomers to sustain the growth of actin tails (see picture).magnified imageBreaking of symmetry is often required in biology in order to produce a specific function. In this work we address the problem of protein diffusion over a spherical vesicle surface towards one pole of the vesicle in order to produce ultimately an active protein cluster performing a specific biological function. Such a process is, for example, prerequisite for the assembling of proteins which then cooperatively catalyze the polymerization of actin monomers to sustain the growth of actin tails as occurs in natural vesicles such as those contained in Xenopus eggs. By this process such vesicles may propel themselves within the cell by the principle of action‐reaction. In this work the physicochemical treatment of diffusion of large biomolecules within a cellular membrane is extended to encompass the case when proteins may be transiently poised by corral‐like structures partitioning the membrane as has been recently documented in the literature. In such case the exchange of proteins between adjacent corrals occurs by energy‐gated transitions instead of classical Brownian motion, yet the present analysis shows that long‐range movements of the biomolecules may still be described by a classical diffusion law though the diffusion coefficient has then a different physical meaning. Such a model explains why otherwise classical diffusion of proteins may give rise to too small diffusion coefficients compared to predictions based on the protein dimension. This model is implemented to examine the rate of proteins clustering at one pole of a spherical vesicle and its outcome is discussed in relevance to the mechanism of actin comet tails growth.
Fluorescence Quenching by Photoinduced Electron Transfer: A Reporter for Conformational Dynamics of Macromolecules
Authors: Doose Sören , Neuweiler Hannes , Sauer Markus 
Published: May 2009

AbstractMacromolecular dynamics: A technique for probing conformational dynamics of biomolecules based on contact‐induced fluorescence quenching is discussed. Photoinduced electron transfer can be used to monitor structural variations with single‐molecule sensitivity on sub‐nanometre length scales and with nanosecond temporal resolution (see figure).magnified imagePhotoinduced electron transfer (PET) between organic fluorophores and suitable electron donating moieties, for example, the amino acid tryptophan or the nucleobase guanine, can quench fluorescence upon van der Waals contact and thus report on molecular contact. PET‐quenching has been used as reporter for monitoring conformational dynamics in polypeptides, proteins, and oligonucleotides. Whereas dynamic quenching transiently influences quantum yield and fluorescence lifetime of the fluorophore, static quenching in π‐stacked complexes efficiently suppresses fluorescence emission over time scales longer than the fluorescence lifetime. Static quenching therefore provides sufficient contrast to be observed at the single‐molecule level. Here, we review complex formation and static quenching of different fluorophores by various molecular compounds, discuss applications as reporter system for macromolecular dynamics, and give illustrating examples.
Quality of life in depression: An important outcome measure in an outpatient cognitive–behavioural therapy group programme?
Authors: Swan Amanda , Watson Hunna J. , Nathan Paula R. 
Published: May 2009

AbstractStudies have shown that psychiatric patients have significantly impaired quality of life (QOL) in comparison to community samples who are not suffering a mental illness. Despite an increase in research in the mental health field, there still remains little consensus as to the merit of using such questionnaires within a mental health population. There is a concern that QOL is redundant with affective state and symptomatology. We investigated the usefulness of the Quality of Life Enjoyment and Satisfaction Questionnaire‐short form (QLESQ‐SF) in a depressed outpatient sample receiving time‐limited, standardized group cognitive–behavioural therapy. QLESQ‐SF ratings were examined at admission and 10‐week endpoint in an intention‐to‐treat (N = 212) and completers (N = 164) sample. QLESQ‐SF ratings and symptom ratings (Beck Depression Inventory‐II; Beck Anxiety Inventory) improved significantly over time. Hierarchical regression analyses revealed that, although affective state and change in symptomatology were significantly correlated with QOL and change in QOL, a large proportion of variance was unexplained. These results are inconsistent with the theory of measurement redundancy. QOL appears to be a useful measure that provides additional treatment outcome information distinct from affective state and symptomatology. Copyright © 2009 John Wiley & Sons, Ltd.
Complex Plasma Afterglow
Authors: Couëdel L. , Mezeghrane A. , Samarian A.A. , Mikikian M. , Tessier Y. , Cavarroc M. , Boufendi L. 
Published: May 2009

AbstractIn complex plasmas, dust particles are charged through their interactions with the electrons and the ions of the surrounding plasma. In laboratory discharges, when the discharge is turned off, the charged species of the plasma diffuse away and recombine into neutral species. When dust particles are present inside the plasma, the diffusion of charged species is affected and the plasma decay time can be strongly shorten. Moreover, the dust particles loose their electric charge during the afterglow period. However, dust particles do keep residual charges in the late afterglow and the value of these charges strongly depends on the ambipolar‐to‐free diffusion transition (© 2009 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Structure and Phase Transitions of Yukawa Balls
Authors: Baumgartner H. , Block D. , Bonitz M. 
Published: May 2009

AbstractIn this review, an overview of structural properties and phase transitions in finite spherical dusty (complex) plasma crystals – so‐called Yukawa balls – is given. These novel kinds of Wigner crystals can be directly analyzed experimentally with video cameras. The experiments clearly reveal a shell structure and allow to determine the shell populations, to observe metastable states and transitions between configurations as well as phase transitions. The experimental observations of the static properties are well explained by a rather simple theoretical model which treats the dust particles as being confined by a parabolic potential and interacting via an isotropic Yukawa pair potential. The excitation properties of the Yukawa balls such as normal modes and the dynamic behavior, including the time‐dependent formation of the crystal requires, in addition, to include the effect of friction between the dust particles and the neutral gas. Aside from first‐principle molecular dynamics and Monte Carlo simulations several analytical approaches are reviewed which include shell models and a continuum theory. A summary of recent results and theory‐experiment comparisons is given and questions for future research activities are outlined (© 2009 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Recruitment of heterochromatin protein 1 to DNA repair sites
Authors: Zarebski Miroslaw , Wiernasz Elzbieta , Dobrucki Jurek W. 
Published: May 2009

AbstractHeterochromatin protein 1 (HP1) was originally identified as a constitutive component of heterochromatin. However it is recognized now that it plays an important role in a number of dynamic processes in the cell nucleus, including transcriptional repression and regulation of euchromatic genes. Recent reports demonstrate that HP1 may be involved in the DNA damage response. Two seemingly contradictory phenomena have been observed—HP1 detachment from chromatin and HP1 recruitment to damaged DNA foci. Based on quantitative FRAP and FLIP studies carefully designed to minimize phototoxicity, we demonstrate that HP1 is recruited to the damaged regions in hetero‐ as well as euchromatin within a few minutes after damage. © 2009 International Society for Advancement of Cytometry
Complexity reduction of signal detection by exploiting correlation characteristics of spreading sequences
Authors: Su Qinliang , Huang Aiping , Li Jing , Chen Hsiao‐Hwa 
Published: May 2009

AbstractIn this paper, we propose an approach to reduce the multi‐user detection (MUD) complexity based on user grouping and signal replica classification by exploiting the correlation characteristics of spreading sequences in multipath fading channels. The spreading sequences are constructed from inter‐group complementary codes with a sparse and regular correlation matrix and inherit its attractive auto/cross‐correlation properties. Users are first partitioned into independent user groups according to whether or not there is interference among them, and then the replicas of user signals from the same user group are further classified into independent replica classes. The MUD is carried out within each low‐dimensional user group or replica class, respectively, reducing the MUD complexity substantially. This approach can be applied to most of the existing MUD algorithms for complexity reduction, and in this paper optimal MUD and multi‐stage MUD are exemplified. The analytical and simulated results demonstrate that this approach can reduce the MUD complexity significantly under any load conditions without performance loss. Copyright © 2009 John Wiley & Sons, Ltd.
Manic fringe is not required for embryonic development, and fringe family members do not exhibit redundant functions in the axial skeleton, limb, or hindbrain
Authors: Moran Jennifer L. , Shifley Emily T. , Levorse John M. , Mani Shyamala , Ostmann Kristin , Perez‐Balaguer Ariadna , Walker Dawn M. , Vogt Thomas F. , Cole Susan E. 
Published: May 2009

AbstractTight regulation of Notch pathway signaling is important in many aspects of embryonic development. Notch signaling can be modulated by expression of fringe genes, encoding glycosyltransferases that modify EGF repeats in the Notch receptor. Although Lunatic fringe (Lfng) has been shown to play important roles in vertebrate segmentation, comparatively little is known regarding the developmental functions of the other vertebrate fringe genes, Radical fringe (Rfng) and Manic fringe (Mfng). Here we report that Mfng expression is not required for embryonic development. Further, we find that despite significant overlap in expression patterns, we detect no obvious synergistic defects in mice in the absence of two, or all three, fringe genes during development of the axial skeleton, limbs, hindbrain, and cranial nerves. Developmental Dynamics 238:1803–1812, 2009. © 2009 Wiley‐Liss, Inc.
Ultrasound‐Assisted Synthesis of CuO Nanorods in a Neat Room‐Temperature Ionic Liquid
Authors: Alammar Tarek , Birkner Alexander , Mudring Anja‐Verena 
Published: May 2009

AbstractCuO nanorods were prepared via ultrasound‐assisted synthesis in the room temperature ionic liquid (RTIL) 1‐butyl‐3‐methylimidazoliumbis(trifluoromethylsulfonyl)imide [C4mim][Tf2N] as a reaction medium. The structure and morphology of CuO nanorods were characterized with X‐ray powder diffraction (XRD), transmission electron microscopy (TEM), energy‐dispersive X‐ray analysis (EDX), X‐ray photoelectron spectroscopy (XPS), vibrational and UV/Vis absorption spectroscopy. The synthesized CuO nanocrystals are of rod like shape with lengths from 30 to 100 nm and diameters of about 10 nm. Quantum size effects were observed as the bandgap of the CuO nanorods was determined to 2.41 eV from UV/Vis absorption measurements, which is significantly larger than the bulk value. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009)
Two New Supramolecular Architectures of Singly Phenoxo‐Bridged Copper(II) and Doubly Phenoxo‐Bridged Manganese(II) Complexes Derived from an Unusual ONOO Donor Hydrazone Ligand: Syntheses, Structural Variations, Cryomagnetic, DFT, and EPR Studies
Authors: Ray Aurkie , Rizzoli Corrado , Pilet Guillaume , Desplanches Cédric , Garribba Eugenio , Rentschler Eva , Mitra Samiran 
Published: May 2009

AbstractTwo new coordination complexes {[(L)Cu2(μ‐L)(NO3)(CH3OH)0.3(H2O)0.7]·NO3}[Cu(L)(NO3)(CH3OH)] (1) and [Mn2(μ‐L)2(H2O)(μ1‐N3)2(CH3OH)] (2) derived from (E)‐N′‐(2‐hydroxy‐3‐methoxybenzylidene)acetohydrazide [LH] have been synthesized. The new potentially tetradentate ONOO donor hydrazone ligand [LH] has shown considerable metal ion selective phenoxo bridging in 1 and 2. It has coordinated copper(II) ions in its tridentate as well as in tetradentate fashion whereas for manganese(II) ions it solely showed its tetradentate character. In 1 the two adjacent pentacoordinate copper(II) centers are connected by a rare single phenoxo linkage of the hydrazone ligand whereas 2 is a doubly phenoxo‐bridged heptacoordinated manganese(II) dinuclear species. The 3D supramolecular networks of 1 and 2 have resulted from extensive H‐bonding interactions in the respective complexes. Structural variations observed for 1 and 2 have been described by performing single‐crystal X‐ray analysis. The ligand and the complexes are characterized by elemental analyses, IR, UV/Vis and 1H NMR spectroscopy. Cryomagnetic investigations, DFT studies and EPR analysis, of 1 and 2 have also been studied in detail.(© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009)
Competing Large and Small Angles in a Double End‐On Azido Copper(II) Binuclear Complex: A Combined Experimental and Theoretical Study of Magnetic Interactions
Authors: Jia Qin‐Xiang , Bonnet Marie‐Laure , Gao En‐Qing , Robert Vincent 
Published: May 2009

AbstractThe structure and magnetic properties of double azido‐bridged CuII binuclear complex 1 with the chelating chiral ligand (S,S)‐2,2′‐isopropylidenebis(4‐phenyl‐2‐oxazoline) were analyzed by combining experimental and theoretical techniques. The CuII ions adopt a square pyramidal geometry with different degrees of distortion, whereas the two end‐on azido bridges disposed at the equatorial positions exhibit significantly different Cu–N–Cu angles, 110.6 and 97.3°, which are respectively smaller and larger than the critical 108° value distinguishing the ferromagnetic and antiferromagnetic regimes. The asymmetry in 1 arises from the use of the bulky asymmetric ligand, giving rise to two different magnetic pathways between the CuII ions. The magnetic pathway along the large Cu–N–Cu angle value dominates over the small one, resulting in a net antiferromagnetic behavior with J = –78.6 cm–1. On the basis of wavefunction calculations, we investigate the exchange interactions in synthetic compound 1 and fictitious analogs 2 and 3 holding either two large (i.e., 110.6°) or two small (i.e., 97.3°) Cu–N–Cu angles. The calculated exchange interaction in 1(–104 cm–1) is in relatively good agreement with the experimental value and corresponds precisely to the average between the antiferromagnetic value in 2 (–218 cm–1) and the ferromagnetic one in 3 (21 cm–1). The significant enhancement in the antiferromagnetic contribution accompanying the expansion of one of the Cu–N–Cu bridging angles is undoubtedly the driving force for the observed antiferromagnetic behavior in 1. The control of the local metal environments allowed us to monitor the exchange coupling interactions. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009)
Enantiomerically Pure Bis(phosphanyl)carbaborane(12) Compounds
Authors: Bauer Sebastian , Tschirschwitz Steffen , Lönnecke Peter , Frank René , Kirchner Barbara , Clarke Matthew L. , Hey‐Hawkins Evamarie 
Published: May 2009

AbstractEnantiomerically pure (RP,RP)‐ and (RP,SP)‐1,2‐bis[1‐adamantyloxy‐(–)‐menthyloxyphosphanyl]‐closo‐dicarbaborane(12), 1,2‐bis[bis(–)‐menthyloxyphosphanyl]‐closo‐dicarbaborane(12)and 1,2‐bis[bis(4‐tert‐butylphenyloxy)phosphanyl]‐closo‐dicarbaborane(12) were synthesised by the reaction of dilithiated 1,2‐dicarba‐closo‐dodecaborane(12) with two equivalents of the corresponding chlorophosphite. The phosphonites are stable towards epimerisation, oxygen and water. P···P through‐space coupling was observed, and the 3JPP coupling constants were determined by spectral simulation and DFT calculations. Late transition‐metal complexes with molybdenum and rhodium were prepared to study the coordination properties of the bis(phosphanyl)carbaborane(12) compounds. Catalytic properties of various rhodium complexes were investigated in homogeneous catalytic hydroformylation reactions with various olefins. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009)
Drop‐out from treatment for the eating disorders: A problem for clinicians and researchers
Authors: Campbell Mari 
Published: May 2009

AbstractAll professionals who work in the field of eating disorders will have encountered patients who do not make it into or through a course of treatment. This paper considers some of the difficulties that drop‐out poses to clinicians and researchers. It also suggests strategies for addressing these challenges in future research and clinical practice. Copyright © 2009 John Wiley & Sons, Ltd and Eating Disorders Association.
Meta‐analysis on drugs in people with eating disorders
Authors: Calero‐Elvira Ana , Krug Isabel , Davis Kimberley , López Carolina , Fernández‐Aranda Fernando , Treasure Janet 
Published: May 2009

AbstractObjectiveThe aim of this study was to examine whether drug use (DU) is higher in people with eating disorders (EDs) compared to a healthy control group and to perform a meta‐analysis on the literature related to DU in people with EDs.MethodWe searched electronic databases (Medline, PsycINFO, Web of Science and CINAHL) and reviewed studies published from 1994 to August, 2007, in English, German or Spanish. A total of 16 papers fulfilled the inclusion criteria and were included.ResultsThe general meta‐analysis revealed a negligible albeit significant effect size (0.119, p < .05). Risk was found to be higher in bulimia nervosa (BN, δ = 0.462, p =  < .001), smaller in binge eating disorder (δ = 0.14, p < .05) and non‐significant in anorexia nervosa (AN, δ = −.167, p = .070).ConclusionsThe differential risk observed in patients with BN might be related to differences in temperament or might be the result of reward sensitization. Copyright © 2009 John Wiley & Sons, Ltd and Eating Disorders Association.
Feature extraction and recognition of UHF partial discharge signals in GIS based on dual‐tree complex wavelet transform
Authors: Xie Yanbin , Tang Ju , Zhou Qian 
Published: May 2009

AbstractUltra‐high‐frequency (UHF) partial discharge (PD) detection is an effective means for evaluation of dielectric condition of gas insulated switchgear (GIS). Time‐resolved data pattern is utilized to recognize insulation defect because of its attractive advantages that there exists some direct relationship between the shape of PD signal and the physics of the defect. Therefore, the main task is feature extraction of time‐resolved data. However, it is hard to extract features in time domain because there is no obvious difference in types of signals. UHF PD signals are non‐stationary, so feature extraction in frequency domain is not suitable as well. Feature extraction in time‐frequency domain based on discrete wavelet transform (DWT) is a solution for this problem, but there is a weak point which hampers the application of this method, that is, lack of shift invariance, which means that small shifts in the input signal can cause major variations in the distribution of energy between DWT coefficients at different scales. In this paper, a new method of feature extraction of UHF PD signal on the basis of dual‐tree complex wavelet transform (CWT) which can reduce shift sensitive is proposed. UHF PD signals are acquired in lab and decomposed by a dual‐tree CWT. Then the feature space is constructed through the energy on all frequency bands and modulus maxima on all scales. At last feature space is inputted into a radial base function (RBF) neural network classifier. The results show the superiority of this method over traditional ones. Copyright © 2009 John Wiley & Sons, Ltd.
Sequential feasible optimal power flow: theoretical basis and numerical implementation
Authors: Jiang Quanyuan , Chiang Hsiao‐Dong 
Published: May 2009

AbstractSequential feasible optimal (SFO) power flow is developed for power systems. One distinguished feature of this algorithm is that it can maintain feasibility for both equality and inequality constraints during iterations. SFO consists of two phases: Phase I is used to obtain a feasible point from any infeasible initial point. The feasible point is obtained by solving an active‐set quotient gradient system (AS‐QGS) using pseudo‐transient continuation method. Starting from the feasible point obtained in Phase I, Phase II yields a series of feasible points until it converges to KKT point. At each iteration of Phase II, the movement from one feasible point to another feasible point with a smaller objective value is achieved by two stages: objective improving stage and feasibility enforcing stage. Numerical studies on several testing systems indicate that the proposed feasible approach can be terminated at any iteration and yield a feasible operating point. Moreover, SFO can also be used to help operators to diagnose the divergence cases, identify the unreasonable constraints. Based on the diagnosis results, operator can adjust it to obtain a convergence case. Copyright © 2009 John Wiley & Sons, Ltd.