bluuebunny/crossref_metadata_2025_split huggingface dataset:
Nerve growth factor‐immobilized polypyrrole: Bioactive electrically conducting polymer for enhanced neurite extension
Authors: Gomez Natalia , Schmidt Christine E. 
Published: November 2006

AbstractBiomaterials that present multiple stimuli are attractive for a number of biomedical applications. In particular, electrical and biological cues are important factors to include in interfaces with neurons for applications such as nerve conduits and neural probes. Here, we report the combination of these two stimuli, by immobilizing nerve growth factor (NGF) on the surface of the electrically conducting polymer polypyrrole (PPy). NGF was immobilized using an intermediate linker provided by a layer of polyallylamine conjugated to an arylazido functional group. Upon exposure to UV light and activation of the azido groups, NGF was fixed to the substrate. Three different surface concentrations were obtained (0.21–0.98 ng/mm2) and similar levels of neurite extension were observed on immobilized NGF as with soluble NGF. Additionally, electrical stimulation experiments were conducted with the modified polymer and revealed a 50% increase in neurite outgrowth in PC12 cells compared to experiments without electrical stimulation. This novel modification of PPy provides both electrical and biological stimulation, by presenting tethered growth factors and only producing a small decrease in the material's properties (conductivity ∼10 S cm−1) when compared to other modification techniques (conductivity ∼10−3–10−6 S cm−1). © 2006 Wiley Periodicals, Inc. J Biomed Mater Res, 2007
The existence of secondary orbital interactions
Authors: Wannere Chaitanya S. , Paul Ankan , Herges Rainer , Houk K. N. , Schaefer Henry F. , Von Ragué Schleyer Paul 
Published: November 2006

AbstractB3LYP/6‐311+G** (and MP2/6‐311+G**) computations, performed for a series of Diels‐Alder (DA) reactions, confirm that the endo transition states (TS) and the related Cope‐TSs are favored energetically over the respective exo‐TSs. Likewise, the computed magnetic properties (nucleus‐independent chemical shifts and magnetic susceptibililties) of the endo‐ (as well as the Cope) TS's reveal their greater electron delocalization and greater aromaticity than the exo‐TS's. However, Woodward and Hoffmann's original example is an exception: their endo‐TS model, involving the DA reaction of a syn‐ with an anti‐butadiene (BD), actually is disfavored energetically over the corresponding exo‐TS; magnetic criteria also do not indicate the existence of SOI delocalization in either case. Instead, a strong energetic preference for endo‐TSs due to SOI is found when both BDs are in the syn conformations. This is in accord with Alder and Stein's rule of “maximum accumulation of double bonds:” both the dienophile and the diene should have syn conformations. Plots along the IRC's show that the magnetic properties typically are most strongly exalted close to the energetic TS. Because of SOI, all the points along the endo reaction coordinates are more diatropic than along the corresponding exo pathways. We find weak SOI effects to be operative in the endo‐TSs involved in the cycloadditions of cyclic alkenes, cyclopropene, aziridine, cyclobutene, and cyclopentene, with cyclopentadiene. While the endo‐TSs are only slightly lower in energy than the respective exo‐TSs, the magnetic properties of the endo‐TS's are significantly exalted over those for the exo‐TS's and the Natural Bond Orbitals indicate small stabilizing interactions between the methylene cycloalkene hydrogen orbitals (and lone pairs in case of aziridine) with π‐character and the diene π MOs. © 2006 Wiley Periodicals, Inc. J Comput Chem 2007
Interpersonal process and outcome in variants of cognitive–behavioral psychotherapy
Authors: Critchfield Kenneth L. , Henry William P. , Castonguay Louis G. , Borkovec Thomas D. 
Published: November 2006

AbstractEarly sessions from three variants of cognitive–behavioral therapy (CBT) were examined to replicate work done in psychodynamic‐interpersonal treatments linking interpersonal process to outcome (W. P. Henry, T. E. Schacht, & H. H. Strupp, 1986, 1990). Cases were available from a component study of CBT for generalized anxiety disorder (T. D. Borkovec, M. G. Newman, A. L. Pincus, & R. Lytle, 2002) and were selected to form good and poor outcome groups maintained through a 1‐year follow‐up. A third group was also examined that had initial positive outcomes and marked decline by follow‐up (n = 8 for each). Structural analysis of social behavior (SASB) was used to identify interpersonal behaviors. Contrary to the authors' expectation, SASB variables were not strong predictors of outcome, and lower levels of interpersonal hostility were found than was the case in previous work. Findings are discussed in light of differences observed between treatment variants and the role that manuals may have in standardizing some aspects of the therapeutic relationship. © 2006 Wiley Periodicals, Inc. J Clin Psychol 63: 31–51, 2007.
Relative impact of adverse events and screened symptoms of posttraumatic stress disorder and depression among active duty soldiers seeking mental health care
Authors: Gahm Gregory A. , Lucenko Barbara A. , Retzlaff Paul , Fukuda Seiya 
Published: November 2006

AbstractSymptoms of depression and posttraumatic stress are among the most studied psychological difficulties among soldiers. Such symptoms have been linked to a history of adverse events among both civilians and combat veterans. There is a paucity of research on this topic that can be applied to an active duty clinical population. Intake screening data were reviewed for 1,626 soldiers presenting to an outpatient mental health clinic to identify variables, including history of potentially traumatic experiences, associated with screened symptoms of posttraumatic stress disorder (PTSD) and depression. Demographics such as age, gender, and military rank, as well as number of adverse childhood experiences were significant predictors of screened PTSD and depression. A history of deployment to a combat zone predicted screened PTSD, but not depression. The role of childhood abuse as a risk factor is discussed and highlighted in the etiology of symptoms for soldiers seeking mental health care. © 2007 Wiley Periodicals, Inc. J Clin Psychol 63: 199–211, 2007.
The efficacy of personal construct therapy: A comprehensive review
Authors: Holland Jason M. , Neimeyer Robert A. , Currier Joseph M. , Berman Jeffrey S. 
Published: November 2006

AbstractPrior narrative and quantitative reviews have suggested that personal construct therapy (PCT) is an efficacious and viable form of treatment. However, these reviews failed to include all published, controlled PCT outcome studies and did not account for all measures of outcome. The present quantitative review, therefore, offers a comprehensive integration of the 22 published studies that compare PCT to a control group, examining its overall efficacy at posttest and follow‐up as well as its effects for different types of outcome measures. Overall, the efficacy of PCT was found to be somewhat weaker than that reported in previous reviews. It was also found that traditional self‐report and behavioral observation measures tended to yield larger effects compared to measures that focused on personal meanings and scored content supplied by the client. © 2006 Wiley Periodicals, Inc. J Clin Psychol 63: 93–107, 2007.
Static SIMS studies of the oxides and hydroxides of aluminium
Authors: Verdier S. , Metson J. B. , Dunlop H. M. 
Published: November 2006

AbstractThe degree of hydroxylation or hydration of aluminium surfaces has been examined by static secondary ion mass spectroscopy (SSIMS). The SSIMS spectra of a series of aluminium oxide, oxyhydroxide and hydroxide surfaces have been obtained using instruments in three configurations. Similarities were observed in both negative and positive secondary ions spectra. Even though a direct comparison of the relative intensities cannot be made from one instrument to the other, a similar ranking of the various aluminium hydroxylation states was observed. Several ranking methods are discussed, as well as the similarities and differences observed while using the three instruments. Similar secondary ions were detected whatever the degree of hydroxylation of the aluminium oxide. This argues in favour of the formation of fragments by the combination of individually sputtered atoms or clusters to form the more stable secondaries, rather than the kick‐off of ‘structure‐related’ clusters originating directly from the upper surface layer. Copyright © 2006 John Wiley & Sons, Ltd.
Theoretical and spectroscopic studies of 5‐aminoorotic acid and its new lanthanide(III) complexes
Authors: Kostova Irena , Peica Niculina , Kiefer Wolfgang 
Published: November 2006

AbstractThe complexes of cerium(III) and neodymium(III) were synthesized by reaction of the respective inorganic salts with 5‐aminoorotic acid (H4L) in amounts equal to the metal:ligand molar ratio of 1:3. The structures of the final complexes were determined by means of spectral (IR, Raman, 1H NMR and 13C NMR) and elemental analysis. Significant differences in the IR spectra of the complexes were observed as compared to the spectrum of the ligand. A comparative analysis of the Raman spectra of the complexes with that of the free H4L allowed a straightforward assignment of the vibrations of the ligand groups involved in coordination. The geometry of H4L was computed and optimized for the first time with the Gaussian03 program using the B3PW91/6‐311++G**, B3PW91/LANL2DZ, B3LYP/6‐311++G** and B3LYP/LANL2DZ methods. The experimental IR and Raman bands of the ligand were assigned to normal modes on the basis of DFT calculations. The vibrational analysis performed for the studied species, H4L and its complexes, helped to explain the vibrational behavior of the ligand vibrational modes sensitive to interaction with the lanthanides. The vibrational study gave evidence for the coordination mode of the ligand to lanthanide ions and was in agreement with the other theoretical prediction. Copyright © 2006 John Wiley & Sons, Ltd.
Nondestructive analysis of single rapeseeds by means of Raman spectroscopy
Authors: Reitzenstein Sebastian , Rösch Petra , Strehle Marion A. , Berg Dorothea , Baranska Malgorzata , Schulz Hartwig , Rudloff Eicke , Popp Jürgen 
Published: November 2006

AbstractThe value of different vegetable oils can be correlated with the content of polyunsaturated fatty acids, especially omega‐3‐fatty acids such as linolenic acid, because of their contribution to healthy nutrition. One expression for the degree of unsaturation is the iodine value normally measured with gas chromatography. The use of Raman spectroscopy allows a rapid calculation of the iodine value and, in addition, only in a minimal sample volume. Therefore, this method can be used in single rapeseeds in order to predict the iodine value before harvesting. Additionally, the method can also be used for breeding investigations. Here, the lipid content and composition of a plant can be predicted by measuring the seedling without destruction. Copyright © 2006 John Wiley & Sons, Ltd.
Design and implementation of a dualband microwave filter using nonuniform lines
Authors: Huang Jhin‐Fang , Lyu Zong‐Min 
Published: November 2006

AbstractIn this article, we propose a mapping method in which the system function of filter in z‐domain is founded by discrete‐time domain techniques as well as by chain‐scatte ring matrices of various transmission‐lines is derived to fulfill a dualbandpass microwave filter based on equal‐length nonuniform coupled lines. A dualband filter with the desired bandwidth and low insertion loss is recognized by cascading bandpass and bandstop filters. The five‐order Butterworth bandstop filter, which uses a coupled‐serial‐shunted lines structure, causes the implantation and correct placement of the bandstop filter. The wide‐band bandpass filter is implemented by the five‐order Chebyshev Type II band‐pass filter, which uses serial lines and shunted stubs lines configuration. The design process is finished by using optimization algorithms to tune the values of characteristic impedances of each transmission‐line section. Experimental results significantly agree with the theoretical values. Measurement shows that the 3 dB passband widths are about 20% for the frequency of 2.45 GHz and 10% for the frequency of 5.25 GHz. The insertion loss is about 0.831 dB at the frequency of 2.38 GHz and 1.873 dB at the frequency of 5.216 GHz. © 2006 Wiley Periodicals, Inc. Microwave Opt Technol Lett 49: 210–215, 2007; Published online in Wiley InterScience (www.interscience.wiley.com). DOI 10.1002/mop.22075
Myasthenia gravis associated with HTLV‐I infection and atypical brain lesions
Authors: Lalive Patrice H. , Allali Gilles , Truffert André 
Published: November 2006

AbstractWe report a patient who experienced progressive diplopia and distal weakness of the upper limbs. Magnetic resonance imaging of the brain showed extensive white matter lesions and analysis of cerebrospinal fluid revealed acute human T‐lymphotropic virus type I (HTLV‐I) infection. Myasthenia gravis (MG) was evidenced by electromyography (EMG) and antibodies against acetylcholine receptor. This unusual case of MG associated with HTLV‐I infection and brain‐restricted lesions underscores the possible link between viruses and MG pathogenesis. Muscle Nerve, 2006
Influence of substituents on the infrared stretching frequencies of carbonyl group in esters of benzoic acid
Authors: Nummert Vilve , Travnikova Oksana , Vahur Signe , Leito Ivo , Piirsalu Mare , Mäemets Vahur , Koppel Ivar , Koppel Ilmar A. 
Published: November 2006

AbstractInfrared spectra of 25 substituted phenyl esters of benzoic acid C6H5CO2C6H4‐X (XH, 3‐Cl, 3‐F, 3‐CN, 3‐NO2, 3‐CH3, 3‐OH, 3‐NH2, 4‐Cl, 4‐F, 4‐NO2, 4‐CN, 4‐OCH3, 4‐CH3, 4‐NH2, 2‐Cl, 2‐F, 2‐I, 2‐NO2, 2‐CF3, 2‐CN, 2‐CH3, 2‐OCH3, 2‐N(CH3)2, 2‐C(CH3)3), 8 alkyl benzoates C6H5CO2R (XCH3, CH2CH3, CH2Cl, CH2CN, CH2CCH, CH2CH2Cl, CH2CH2OCH3, CH2C6H5), and 22 phenyl esters of substituted benzoic acids X‐C6H4CO2C6H5 (X3‐Cl, 3‐NO2, 3‐CH3, 3‐N(CH3)2, 4‐F, 4‐Cl, 4‐Br, 4‐NO2, 4‐CH3, 4‐C(CH3)3, 4‐OCH3, 4‐NH2, 2‐Cl, 2‐F, 2‐Br, 2‐I, 2‐NO2, 2‐CN, 2‐CF3, 2‐CH3, 2‐OCH3, 2‐NH2) were recorded in tetrachloromethane in the region of 400–4000 cm−1. Carbonyl stretching frequencies νCO for meta‐ and para‐substituted phenyl esters of benzoic acid and phenyl esters of meta‐substituted benzoic acids were shown to correlate with the substituent constants σo. The influence of the through resonance effect on νCO was found to be important in the case of +R para substituents in the benzoyl part of phenyl benzoates as well. The carbonyl stretching frequencies of ortho derivatives in phenoxy part were shown to correlate with the inductive substituent constant σI only. In the benzoyl part of the esters the carbonyl stretching frequencies of cis and trans conformers (relative to the carbonyl group) of ortho derivatives were nicely described by dual parameter equations: (νCO)cis = (νCO)o + c1σI + c3 $E_{\rm s}^{\rm B} $and (νCO)trans = (νCO)o + c1σp+ + c3 $E_{\rm s}^{\rm B} $ (R = 0.99). The trans isomers of phenyl esters of ortho‐substituted benzoic acids showed direct resonance similar to that for para derivatives. The positive steric term found for both the cis and trans conformers could be considered as measure of the steric inhibition of resonance between the phenyl ring and the carboxy‐group caused by bulky ortho substituents. The existence of cis/trans conformations was supported by frequency calculations with Density Functional Theory (DFT) method at B3LYP/6‐311+G** level for the ortho‐substituted benzoates. In the case of alkyl benzoates good correlations of νCO values were obtained when both the Taft σ* and the steric $E_{\rm s}^{\rm B} $ constants were used. For meta‐ and para‐substituted phenyl benzoates s‐trans conformation where the plane of the benzene ring in the benzoyl part of the ester is coplanar with the carbonyl bond plane and the plane of the benzene ring in the phenoxy part is twisted nearly perpendicular relative to the carbonyl bond plane was supported. Copyright © 2006 John Wiley & Sons, Ltd.
Morphological mapping and analysis of poly[styrene‐b‐(ethylene‐co‐butylene)‐b‐styrene] and its clay nanocomposites by atomic force microscopy
Authors: Ganguly Anirban , De Sarkar M. , Bhowmick Anil K. 
Published: November 2006

AbstractAtomic force microscopy was successfully applied for comprehensive nanoscale surface and bulk morphological characterization of thermoplastic elastomeric triblock copolymers: poly[styrene‐b‐(ethylene‐co‐butylene)‐b‐styrene] (SEBS) having different block lengths and their clay based nanocomposites. Commercially available Cloisite®20A and octadecyl (C18) ammonium ion modified montmorillonite clay (OC) prepared in our laboratory by cation exchange reaction were used. The phase detected images in the tapping mode atomic force microscopy exhibited a well‐ordered phase separated morphology consisting of bright nanophasic domains corresponding to hard component and darker domains corresponding to softer rubbery ethylene‐co‐butylene (PEB) lamella for all the neat triblock copolymers. This lamellar morphology gave a domain width of 19–23 nm for styrenic nanophase and 12–15 nm for ethylene‐co‐butylene phase of SEBS having end to mid block length ratio of 30:70 and block molecular weights of 8800–41,200–8800. On increasing the ratio of block lengths of the polymer matrix and the selectivity of the solvent toward the blocks used for casting, the morphological features of the resultant films altered along with change in domain thickness. The phase images showed position and distribution of the brightest clay stacks in the dark‐bright contrast of the base matrix of the nanocomposite. Exfoliated and intercalated‐exfoliated morphology obtained in the case of Cloisite®20A and OC‐based SEBS nanocomposites, respectively, is further supported by X‐ ray diffraction and transmission electron microscopy studies. The lamellar thickness of the soft phases widened to 50–75 nm, where the layered clay silicates (40–54 nm in length and 4–17 nm in width) were embedded in the soft rubbery phases in the block copolymeric matrix of the nanocomposite. The marginally thicker width of the hard styrenic phases and slightly shrinked width of the soft rubbery lamella can be observed from the regions where no nanofiller is present. Distinct differences in bulk morphologies of the nanocomposites prepared in the melt and the solution processes were obtained with nanocomposites. The presence of clay particles was evident from the almost zero pull‐off and snap‐in force in the force‐distance analysis of SEBS based nanocomposite. This analysis also revealed stronger tip interaction resulting in highest contact and adhesive forces with the softer PEB region relative to the harder PS region. © 2006 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 45: 52–66, 2007
Measurement of high frequency linear viscoelastic functions of a nitrile‐butadiene rubber compound by ultrasound spectroscopy
Authors: Alvarez Guillermo A. , Quintero Miguel W. , Eckert‐Kastner Susanne , Alshuth Thomas , Reinecke Helmut 
Published: November 2006

AbstractThe storage and loss components of the complex wave modulus, M*(ω), measured on a nitrile‐butadiene rubber compound (NBR‐DIN 53538) by ultrasound spectroscopy at a temperature of 293.2 K, were combined with the components of the complex shear modulus, G*(ω), measured on the same sample in a commercial Rheometric Scientific ARES instrument with torsion geometry at different frequencies and temperatures, and superposed in a master plot using the time–temperature superposition principle. From the combined measurements the components of the complex bulk modulus, K*(ω), were obtained by means of the exact formula M*(ω) = K*(ω) + (4/3)G*(ω). Some of the features of the complex bulk modulus reported in the literature for polymeric materials are confirmed for the NBR‐DIN mixture. The maxima in G″(ω) and K″(ω) are separated by more than one order of magnitude in the frequency scale and furthermore, the shapes of the peaks are different. The simple idea, that, for many polymers, the mechanisms for relaxation in shear and in bulk are of the same basic nature appears not to be supported by the present data. © 2006 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 45: 91–102, 2007
How a small change in retinal leads to G‐protein activation: Initial events suggested by molecular dynamics calculations
Authors: Crozier Paul S. , Stevens Mark J. , Woolf Thomas B. 
Published: November 2006

AbstractRhodopsin is the prototypical G‐protein coupled receptor, coupling light activation with high efficiency to signaling molecules. The dark‐state X‐ray structures of the protein provide a starting point for consideration of the relaxation from initial light activation to conformational changes that may lead to signaling. In this study we create an energetically unstable retinal in the light activated state and then use molecular dynamics simulations to examine the types of compensation, relaxation, and conformational changes that occur following the cis–trans light activation. The results suggest that changes occur throughout the protein, with changes in the orientation of Helices 5 and 6, a closer interaction between Ala 169 on Helix 4 and retinal, and a shift in the Schiff base counterion that also reflects changes in sidechain interactions with the retinal. Taken together, the simulation is suggestive of the types of changes that lead from local conformational change to light‐activated signaling in this prototypical system. Proteins 2007. © 2006 Wiley‐Liss, Inc.
Theoretical analysis of femtosecond fluorescence depletion spectra and vibrational relaxations of dye oxazine 750 and rhodamine 700 molecules in acetone solution
Authors: Dong Li‐Qing , Niu Kai , Cong Shu‐Lin 
Published: November 2006

AbstractThe fluorescence depletion spectra of oxazine 750 (OX750) and rhodamine 700 (LD700) molecules in acetone solution are calculated using the perturbative density operator method and the transient linear susceptibility theory. The calculated fluorescence depletion spectra of the dye OX750 and LD700 molecules agree well with the experimental results reported by Liu et al. The calculated decay time of the fluorescence depletion spectra due to the vibrational relaxation ranges from 300 to 450 fs, and the decay time resulting from the solvation effect is a few tens of picoseconds. The calculated vibrational relaxation rates are 4.3 and 4.9 ps−1 for the OX750 and LD700 molecules, respectively. The effects of temperature and probe pulse parameters on the fluorescence depletion spectra are also discussed. © 2006 Wiley Periodicals, Inc. Int J Quantum Chem, 2007