bluuebunny/crossref_metadata_2025_split huggingface dataset:
Anger, aggression, and self‐harm in PTSD and complex PTSD
Authors: Dyer Kevin F. W. , Dorahy Martin J. , Hamilton Geraldine , Corry Mary , Shannon Maria , MacSherry Anne , McRobert Geordie , Elder Rhonda , McElhill Bridie 
Published: August 2009

AbstractThis study examined the contribution of complex posttraumatic stress disorder (PTSD) diagnosis and symptomatology to the difficulties of anger, aggression, and self‐harm in a Northern Ireland clinical community sample. A “current complex PTSD” (CCPTSD) group (n=11) was compared with a “current PTSD” group (n=31) on self‐report measures of these variables. The CCPTSD group demonstrated significantly higher levels of physical aggression and self‐harm than the PTSD group. The complex PTSD symptom of ‘alterations in self‐perception’ was a significant predictor of aggression and history of self‐harm, suggesting the potential role of posttraumatic shame and self‐loathing in PTSD theoretical models of these destructive behaviors. Social desirability was a notable confounding influence in the assessment of anger, aggression, and self‐harm in traumatised individuals. © 2009 Wiley Periodicals, Inc. J Clin Psychol 65:1–16, 2009.
Evolution of viviparity and uterine angiogenesis: vascular endothelial growth factor (VEGF) in oviparous and viviparous skinks
Authors: Murphy Bridget F. , Belov Katherine , Thompson Michael B. 
Published: August 2009

AbstractDuring pregnancy, uterine vasculature of live‐bearing lizards proliferates to support embryonic growth and development. Vascular endothelial growth factor (VEGF) is the most potent of a suite of growth factors responsible for uterine vascularization in mammals. We have sequenced VEGF mRNA transcripts expressed in the uterus of oviparous and viviparous Australian skinks, and compared uterine VEGF expression in nonreproductive and late‐reproductive Saiphos equalis, a fossorial viviparous skink. VEGF sequences differed between phylogenetic groups of skinks, rather than oviparous and viviparous skinks. Two transcripts were identified in the uterus of each species that had the same splice sites as human VEGF165 and VEGF189. A third transcript, found only in uterine and testis tissue from S. equalis, had the same splice sites as human VEGF111. This is the first natural expression of VEGF111, previously found only in human cultured cells subjected to environmental stress. All the three VEGF transcripts identified showed higher expression in uterus from late‐reproductive S. equalis than nonreproductive females. The different angiogenic properties of VEGF transcripts provide a mechanism that may produce the variety of placental complexities observed in viviparous skinks. The presence of VEGF111 in S. equalis may be an opportunity to investigate the function of this unique transcript in a whole animal system. J. Exp. Zool. (Mol. Dev. Evol.) 314B:148–156, 2010. © 2009 Wiley‐Liss, Inc.
Gas phase behavior of radical cations of perfluoroalkyl‐1,2,4‐triazines: an experimental and theoretical study
Authors: Giorgi Gianluca , Piccionello Antonio Palumbo , Pace Andrea , Buscemi Silvestre 
Published: August 2009

AbstractElectron ionization mass spectrometry and low‐energy collision‐induced decomposition reactions occurring in a tridimensional ion trap, together with density functional theory (DFT) calculations on neutrals, even‐ and odd‐electron cations, have been used to study the gas‐phase ion chemistry of a series of perfluoroalkyl‐1,2,4‐triazines. Loss of oxygen, due to thermal degradation occurring before ionization, likely involving the hydroxylamino group, has been observed. Compounds having a carbonyl group at position 6 of the triazine ring fragment in the source by elimination of NO followed by HF or CO. The decomposition pathways occurring due to CID experiments have shown interesting features depending on the nature and structure of precursor ions. Most of them involve elimination of endocyclic atoms, thereby producing contraction of the original six‐membered ring or formation of acyclic structures. DFT (B3LYP/6‐31G(d,p)) calculations have been used for evaluating structure, stability and properties of neutral and ionic species involved in gas‐phase processes. In particular, it has been calculated that in the molecular ion the unpaired electron is mainly located on the exocyclic nitrogen, while the positive charge is on the C(6) carbon atom. Copyright © 2009 John Wiley & Sons, Ltd.
Tandem mass spectrometry of synthetic polymers
Authors: Crecelius Anna C. , Baumgaertel Anja , Schubert Ulrich S. 
Published: August 2009

AbstractThe detailed characterization of macromolecules plays an important role for synthetic chemists to define and specify the structure and properties of the successfully synthesized polymers. The search for new characterization techniques for polymers is essential for the continuation of the development of improved synthesis methods. The application of tandem mass spectrometry for the detailed characterization of synthetic polymers using the soft ionization techniques matrix‐assisted laser desorption/ionization mass spectrometry (MALDI‐MS) and electrospray ionization mass spectrometry (ESI‐MS), which became the basic tools in proteomics, has greatly been increased in recent years and is summarized in this perspective. Examples of a variety of homopolymers, such as poly(methyl methacrylate), poly(ethylene glycol), as well as copolymers, e.g. copolyesters, are given. The advanced mass spectrometric techniques described in this review will presumably become one of the basic tools in polymer chemistry in the near future. Copyright © 2009 John Wiley & Sons, Ltd.
Real‐time tracking of vocal fold injections with optical coherence tomography
Authors: Burns James A. , Kim Ki Hean , Kobler James B. , deBoer Johannes F. , Lopez‐Guerra Gerardo , Zeitels Steven M. 
Published: August 2009

AbstractObjectives/Hypothesis:Optical coherence tomography (OCT) is a promising new imaging modality that can help discern the layered microstructure of vocal folds. In the future, subepithelial injections of implants will improve vocal fold pliability where there is stiffness of phonatory mucosa. Using OCT both to delineate the depth of subepithelial injections real‐time and to serially image the implant over time would be valuable, and has not been demonstrated previously.Study Design:Ex vivo study using excised calf larynges and survival study using canines in vivo.Methods:An investigation was done employing real‐time OCT imaging of subepithelial injection pulses into phonatory mucosa of four calf larynges ex vivo to track the presence of subepithelial implants in phonatory mucosa in a survival study using an in vivo canine model.Results:OCT readily identified polyethylene glycol (PEG)‐based hydrogel in the subepithelial plane in both the ex vivo calf study and the in vivo canine study. Ex vivo calf images correlated with histological specimens obtained immediately postinjection. Images obtained in this study provide confirmation of the hydrogel injection depth in real time, and allow for the implant to be tracked during a canine survival study.Conclusions:OCT can confirm subepithelial placement of hydrogel implant in the vocal fold with sufficient resolution to provide instantaneous feedback of an injection pulse. Survival studies in an in vivo canine model indicate that OCT can potentially be helpful in monitoring rheologically appropriate implants within the superficial lamina propria. Laryngoscope, 2009
A modified least‐squares mixed finite element with improved momentum balance
Authors: Schwarz A. , Schröder J. , Starke G. 
Published: August 2009

AbstractThe main goal of this contribution is to provide an improved mixed finite element for quasi‐incompressible linear elasticity. Based on a classical least‐squares formulation, a modified weak form with displacements and stresses as process variables is derived. This weak form is the basis for a finite element with an advanced fulfillment of the momentum balance and therefore with a better performance. For the continuous approximation of stresses and displacements on the triangular and tetrahedral elements, lowest‐order Raviart–Thomas and linear standard Lagrange interpolations can be used. It is shown that coercivity and continuity of the resulting asymmetric bilinear form could be established with respect to appropriate norms. Further on, details about the implementation of the least‐squares mixed finite elements are given and some numerical examples are presented in order to demonstrate the performance of the proposed formulation. Copyright © 2009 John Wiley & Sons, Ltd.
On the approximation in the smoothed finite element method (SFEM)
Authors: Bordas Stéphane P. A. , Natarajan Sundararajan 
Published: August 2009

AbstractThis letter aims at resolving the issues raised in the recent short communication (Int. J. Numer. Meth. Engng 2008; 76(8):1285–1295. DOI: 10.1002/nme.2460) and answered by (Int. J. Numer. Meth. Engng 2009; DOI: 10.1002/nme.2587) by proposing a systematic approximation scheme based on non‐mapped shape functions, which both allows to fully exploit the unique advantages of the smoothed finite element method (SFEM) (Comput. Mech. 2007; 39(6):859–877. DOI: 10.1007/s00466‐006‐0075‐4; Commun. Numer. Meth. Engng 2009; 25(1):19–34. DOI: 10.1002/cnm.1098; Int. J. Numer. Meth. Engng 2007; 71(8):902–930; Comput. Meth. Appl. Mech. Engng 2008; 198(2):165–177. DOI: 10.1016/j.cma.2008.05.029; Comput. Meth. Appl. Mech. Engng 2007; submitted; Int. J. Numer. Meth. Engng 2008; 74(2):175–208. DOI: 10.1002/nme.2146; Comput. Meth. Appl. Mech. Engng 2008; 197 (13–16):1184–1203. DOI: 10.1016/j.cma.2007.10.008) and resolve the existence, linearity and positivity deficiencies pointed out in (Int. J. Numer. Meth. Engng 2008; 76(8):1285–1295).We show that Wachspress interpolants (A Rational Basis for Function Approximation. Academic Press, Inc.: New York, 1975) computed in the physical coordinate system are very well suited to the SFEM, especially when elements are heavily distorted (obtuse interior angles). The proposed approximation leads to results that are almost identical to those of the SFEM initially proposed in (Comput. Mech. 2007; 39(6):859–877. DOI: 10.1007/s00466‐006‐0075‐4).These results suggest that the proposed approximation scheme forms a strong and rigorous basis for the construction of SFEMs. Copyright © 2009 John Wiley & Sons, Ltd.
The dynamics of a changing range genetic algorithm
Authors: Amirjanov Adil 
Published: August 2009

AbstractThe formalism is presented for modelling of a genetic algorithm (GA) with an adjustment of a search space size, which assumes that the environment and the population form a unique system; it establishes a dynamic balance and convergence towards an optimal solution. The paper describes the effect of an adjustment of a search space size of GA on the macroscopic statistical properties of population such as the average fitness and the variance fitness of population. The equations of motion were derived for the one‐max problem that expressed the macroscopic statistical properties of population after reproductive genetic operators and an adjustment of a search space size in terms of those prior to the operation. Predictions of the theory are compared with experiments and are shown to predict the average fitness and the variance fitness of the final population accurately. Copyright © 2009 John Wiley & Sons, Ltd.
Optimal guaranteed cost for singular linear systems with random abrupt changes
Authors: Boukas El‐Kébir 
Published: August 2009

AbstractThis paper considers the class of continuous‐time singular linear Markovian jump systems with totally and partially known transition jump rates. The guaranteed cost control problem of this class of systems is tackled. New sufficient conditions for optimal guaranteed cost are developed. A design procedure for the guaranteed cost controller, which guarantees that the closed‐loop dynamics will be piecewise regular, impulse‐free and stochastically stable is proposed. It is shown that the addressed problem can be solved if the corresponding developed linear matrix inequalities (LMIs) with some constraints are feasible. A numerical example is employed to show the usefulness of the proposed results. Copyright © 2009 John Wiley & Sons, Ltd.
Synthesis and characterization of poly (indene‐co‐pyrrole) nanofibers
Authors: Goel Shubhra , Mazumdar Nasreen A. , Gupta Alka 
Published: August 2009

AbstractNanofibers of poly (indene‐co‐pyrrole) (CInPy) have been synthesized, using a facile chemical oxidative polymerization reaction. The effect of copolymerization was examined in view of the individually synthesized homopolymer nanostructures of polyindene (PIn) and polypyrrole (PPy). Morphological details of CInPy, studied using scanning electron microscopy (SEM) and transmission electron microscopy, (TEM) reveal the appearance of dense cottony mess, comprising of fine fibers with an average diameter of 5–10 nm. Chemical structural analysis of CInPy, conducted using ultraviolet‐visible (UV‐Vis), Fourier transform infrared (FTIR), and nuclear magnetic resonance (NMR) spectroscopic techniques, reveals that both PIn and PPy are involved in the formation of copolymer organization. Fluorescence properties of nanosized copolymer are observed in the blue region, with emission λmax placed at 395 nm. Conductivity of copolymer nanofibers (2.4 × 10−3 S/cm) is consistent with the morphology and thermal stability properties of integral homo‐polymers. Improved thermal stability and processability along with the enhanced optical and electrical properties of copolymer nanostructures outfit it as a better promising material in optoelectronic and light emitting nanodevices, with reference to nanosized PIn and PPy. Copyright © 2009 John Wiley & Sons, Ltd.
Synthesis of copolymers of poly(ether sulfone ether ketone ketone) and poly(ether ketone diphenyl ketone ether ketone ketone) by electrophilic Friedel–Crafts solution polycondensation
Authors: Cai Mingzhong , Zhu Meihua , Xiao Fen , Ding Nengwen , Song Caisheng 
Published: August 2009

AbstractA new monomer, 4,4′‐bis(4‐phenoxybenzoyl)diphenyl(BPOBDP), was synthesized via a two‐step synthetic procedure. A series of novel poly(ether sulfone ether ketone ketone)/poly(ether ketone diphenyl ketone ether ketone ketone) copolymers were prepared by electrophilic Friedel–Crafts solution copolycondensation of isophthaloyl chloride (IPC) with a mixture of 4,4′‐diphenoxydiphenylsulfone (DPODPS) and 4,4′‐bis(4‐phenoxybenzoyl)diphenyl (BPOBDP), in the presence of anhydrous aluminum chloride and N‐methylpyrrolidone (NMP) in 1,2‐dichloroethane (DCE). The copolymers with 10–50 mol% DPODPS are semicrystalline and have remarkably increased Tgs over commercially available PEEK and PEKK. The copolymers with 40–50 mol% DPODPS had not only high Tgs of 170–172°C, but also moderate Tms of 326–333°C, which are extremely suitable for melt processing. These copolymers have tensile strengths of 96.5–108.1 MPa, Young's moduli of 1.98–3.05 GPa, and elongations at break of 13–26% and exhibit excellent thermal stability and good resistance to acidity, alkali, and common organic solvents. Copyright © 2009 John Wiley & Sons, Ltd.
Preparation and properties of cyanate ester/polyorganosiloxane blends with lower dielectric loss and improved toughness
Authors: Dai Shankai , Gu Aijuan , Liang Guozheng , Yuan Li 
Published: August 2009

AbstractNovel modified cyanate ester resins (EPMPS‐n/BADCy), with significantly decreased dielectric loss and improved toughness, were developed by copolymerizing the cyanate ester resin, 2, 2′‐bis (4‐cyanatophenyl) isopropylidene resin) (BADCy), with an epoxidized methyl phenyl silicone resin (EPMPS). The curing behavior of EPMPS‐n/BADCy and the typical properties of the corresponding cured EPMPS‐n/BADCy were systematically investigated. The results show that the addition of EPMPS into BADCy can not only accelerate the curing reaction of BADCy, but also decrease dielectric loss and enhance the impact strength as well as water resistance. For example, in the case of the modified BADCy resin with 15 wt%EPMPS, its impact strength is 17.8 kJ/m2, about 3 times of that of pure BADCy resin and its water absorption is only 0.25%, about one‐half of that of pure BADCy resin. In addition, while the dielectric loss is only 79% of that of pure BADCy resin, while its dielectric constant remains constant over the frequency range of 1KHz‐1 MHz. The above results suggest that EPMPS‐n/BADCy have great potential to be used as the matrix or adhesive for advanced composites. Copyright © 2009 John Wiley & Sons, Ltd.
Optimisation of enzyme assisted extraction of silybin from the seeds of Silybum marianum by Box–Behnken experimental design
Authors: Liu Hong , Du Xueling , Yuan Qipeng , Zhu Lei 
Published: August 2009

AbstractIntroduction – Silybin, a standardised extract of flavanolignans from the seeds of Silybum marianum, has been used for centuries as a natural remedy in the treatment of hepatitis and cirrhosis. The higher yield of silybin by using more efficient extraction technique is of particular interest in the herbal products manufacture.Objective – To systematically investigate the important factors of enzyme‐assisted extraction of flavanolignans from the seeds of Silybum marianum to enhance the extraction yield of silybin.Methodology – The important factors of enzyme‐assisted extraction were optimised by employing Box–Behnken design with the aid of the orthogonal array design (OAD) OA8 (27). The effects of enzyme incubation temperature (EIT), the pH of enzyme solution (PES) and the size of seeds (SS) on the yield of silybin were visualised as three‐dimensional response surface and contour plots.Results – The predictive yield was 24.6 mg/g defatted seeds under the optimum enzymolysis conditions (EIT 40°C, PES 4.5 and SS 7003 μm). The coefficient of the model was r2 > 0.97 (n = 15). The actual yield of silybin was 24.81 ± 1.93 mg/g defatted seeds, higher by 138 and 123.6% than that from ethanol extraction in this study and in the previous literature, respectively. IR spectra and HPLC of the extracts by EAE were in agreement with those from ethanol extraction. SEM and TEM pictures of defatted seeds by variant extractions demonstrate that the extraction of silybin depends on the destruction of cell walls.Conclusion – The results suggest that EAE is a promising alternative for the extraction of silybin by the use of traditional ethanol extraction. Copyright © 2009 John Wiley & Sons, Ltd.
Crystal structures of Lys‐63‐linked tri‐ and di‐ubiquitin reveal a highly extended chain architecture
Authors: Weeks Stephen D. , Grasty Kimberly C. , Hernandez‐Cuebas Lisa , Loll Patrick J. 
Published: August 2009

AbstractThe covalent attachment of different types of poly‐ubiquitin chains signal different outcomes for the proteins so targeted. For example, a protein modified with Lys‐48‐linked poly‐ubiquitin chains is targeted for proteasomal degradation, whereas Lys‐63‐linked chains encode nondegradative signals. The structural features that enable these different types of chains to encode different signals have not yet been fully elucidated. We report here the X‐ray crystal structures of Lys‐63‐linked tri‐ and di‐ubiquitin at resolutions of 2.3 and 1.9 Å, respectively. The tri‐ and di‐ubiquitin species adopt essentially identical structures. In both instances, the ubiquitin chain assumes a highly extended conformation with a left‐handed helical twist; the helical chain contains four ubiquitin monomers per turn and has a repeat length of ∼110 Å. Interestingly, Lys‐48 ubiquitin chains also adopt a left‐handed helical structure with a similar repeat length. However, the Lys‐63 architecture is much more open than that of Lys‐48 chains and exposes much more of the ubiquitin surface for potential recognition events. These new crystal structures are consistent with the results of solution studies of Lys‐63 chain conformation, and reveal the structural basis for differential recognition of Lys‐63 versus Lys‐48 chains. Proteins 2009. © 2009 Wiley‐Liss, Inc.
Improving physical realism, stereochemistry, and side‐chain accuracy in homology modeling: Four approaches that performed well in CASP8
Authors: Krieger Elmar , Joo Keehyoung , Lee Jinwoo , Lee Jooyoung , Raman Srivatsan , Thompson James , Tyka Mike , Baker David , Karplus Kevin 
Published: August 2009

AbstractA correct alignment is an essential requirement in homology modeling. Yet in order to bridge the structural gap between template and target, which may not only involve loop rearrangements, but also shifts of secondary structure elements and repacking of core residues, high‐resolution refinement methods with full atomic details are needed. Here, we describe four approaches that address this “last mile of the protein folding problem” and have performed well during CASP8, yielding physically realistic models: YASARA, which runs molecular dynamics simulations of models in explicit solvent, using a new partly knowledge‐based all atom force field derived from Amber, whose parameters have been optimized to minimize the damage done to protein crystal structures. The LEE‐SERVER, which makes extensive use of conformational space annealing to create alignments, to help Modeller build physically realistic models while satisfying input restraints from templates and CHARMM stereochemistry, and to remodel the side‐chains. ROSETTA, whose high resolution refinement protocol combines a physically realistic all atom force field with Monte Carlo minimization to allow the large conformational space to be sampled quickly. And finally UNDERTAKER, which creates a pool of candidate models from various templates and then optimizes them with an adaptive genetic algorithm, using a primarily empirical cost function that does not include bond angle, bond length, or other physics‐like terms. Proteins 2009. © 2009 Wiley‐Liss, Inc.
Modeling G protein‐coupled receptors for structure‐based drug discovery using low‐frequency normal modes for refinement of homology models: Application to H3 antagonists
Authors: Rai Brajesh K. , Tawa Gregory J. , Katz Alan H. , Humblet Christine 
Published: August 2009

AbstractG Protein‐Coupled Receptors (GPCRs) are integral membrane proteins that play important role in regulating key physiological functions, and are targets of about 50% of all recently launched drugs. High‐resolution experimental structures are available only for very few GPCRs. As a result, structure‐based drug design efforts for GPCRs continue to rely on in silico modeling, which is considered to be an extremely difficult task especially for these receptors. Here, we describe Gmodel, a novel approach for building 3D atomic models of GPCRs using a normal mode‐based refinement of homology models. Gmodel uses a small set of relevant low‐frequency vibrational modes derived from Random Elastic Network model to efficiently sample the large‐scale receptor conformation changes and generate an ensemble of alternative models. These are used to assemble receptor–ligand complexes by docking a known active into each of the alternative models. Each of these is next filtered using restraints derived from known mutation and binding affinity data and is refined in the presence of the active ligand. In this study, Gmodel was applied to generate models of the antagonist form of histamine 3 (H3) receptor. The validity of this novel modeling approach is demonstrated by performing virtual screening (using the refined models) that consistently produces highly enriched hit lists. The models are further validated by analyzing the available SAR related to classical H3 antagonists, and are found to be in good agreement with the available experimental data, thus providing novel insights into the receptor–ligand interactions. Proteins 2010. © 2009 Wiley‐Liss, Inc.