bluuebunny/crossref_metadata_2025_split huggingface dataset:
Different place, different action: Clients' personal narratives in psychotherapy
Authors: Bercelli Fabrizio , Rossano Federico , Viaro Maurizio 
Published: October 2008

AbstractThis paper deals with clients' personal narratives in psychotherapy. Using the method of conversation analysis, we focus on actions and tasks accomplished through clients' narratives. We identify, within the overall structural organization of therapeutic talk in our corpus, two different sequential placements of clients' narratives and describe some of their distinctive features. When they are placed within an inquiry phase of the session and are solicited by therapists' questions, the clients' narratives mainly provide information for therapists in the service of their inquiring agenda. When placed within an elaboration phase of the session, personal narratives are regularly volunteered by clients and produced as responses to therapists' reinterpretations, i.e., statements working up clients' circumstances as previously described by clients. In this latter placement, they mainly offer further evidence relevant to the therapists' reinterpretations, and thus show how clients understand therapists' reinterpretations and what they make of them. The import of these findings, for both an explication of therapeutic techniques and a better understanding of the therapeutic process, is also discussed.
Narratives as a resource to manage disagreement: Examples from a parents' meeting in an extracurricular activity center
Authors: Kjaerbeck Susanne 
Published: October 2008

AbstractThis article explores narratives as an interactional resource to manage disagreement. On the basis of a detailed analysis of parents' meetings with three educators, three conversational phenomena were found to be particularly relevant to manage disagreement in narratives. The first phenomenon is the participants' manner of negotiating meaning in the narrative. It is demonstrated that the teller (a professional) and not the recipient (the mother) is the one who initiates the display of understanding the told events. In this kind of informal institutional talk, it emphasizes the asymmetry of the encounter. The second phenomenon is the primary speaker's accounting for and providing evidence in an attempt to obtain mutual understanding and to establish professional accountability. However, alignment is not achieved, and therefore the teller's assessments are constructed in a dispreferred format. The third phenomenon is the recipient's responding actions, which are minimal or absent and are used as a strategy for communicating disagreement indirectly. Finally, the relationship between narrative description and sequential and institutional contexts is addressed, and narratives are considered as contextualized as well as contextualizing resources of communication.
‘From where we're sat …’: Negotiating narrative transformation through interaction in police interviews with suspects
Authors: Johnson Alison 
Published: October 2008

AbstractThis paper examines narratives told in police interviews through a case-study approach with three interviews from a small corpus of twenty. The interviews are conducted by different police interviewers in different parts of England. Narratives given by suspects in initial storytelling episodes are examined along with negotiating activity that develops from this start point. We see how lay narratives are transformed into institutionalized and evidential ones and how content is reshaped through negotiation that challenges and transforms narrative material. Negotiations over role, responsibility, resistance, participation, and assessment of evidential value of story elements occur. This activity sometimes recontextualizes (Sarangi 1998; Linell and Sarangi 1998; Iedema and Wodak 1999) and transforms the start-point narrative, giving it evidential value; that is, value in relation to institutional and generic goals of establishing the facts of an alleged crime, for use in any future trial. Transformation is therefore seen as a negotiated (re)construction and recontextualization of narrative detail, part of the (re)productive work of institutional talk that produces an altered reality and responsibility that orients to the institututional rather than individual perspective.
Small stories as a new perspective in narrative and identity analysis
Authors: Bamberg Michael , Georgakopoulou Alexandra 
Published: October 2008

AbstractIn this article, we depart from our recent work on ‘small stories’, which we propose as an antidote to canonical narrative studies, and we advance our argumentation by sketching out a five-step analytical operation for tapping into small stories as sites of identity work. These steps grow out of the model of positioning (as put forward by Bamberg 1997, and elaborated in Bamberg 2004a; cf. also Georgakopoulou 2000) that succeeds in navigating between the two extreme ends of fine-grained micro analysis and macro accounts. We will work with positioning in the close analysis of a small story event (as part of a moderated group discussion involving ten-year-old boys in an American school) in which we will show how the teller's announcement of the story, the subsequent withdrawal, and the pre-telling negotiation with the interlocutors are as integral parts of our analysis as the actual telling. We will also demonstrate how viewing story content as a function of interactional engagement opens up new insights into identity constructions of sameness in the face of adversative conditions and constant change.
Constructing ethnicity in New Zealand workplace stories
Authors: Marra Meredith , Holmes Janet 
Published: October 2008

AbstractOne important function of narratives in workplace interaction is the valuable contribution they make to the construction of complex social identities. These identities typically include a professional or workplace identity, but may also include other facets of self. In the New Zealand workplace, a mainstream ‘white’ identity can be considered the unmarked, communicative cultural norm. In this context, storytelling provides a creative and socially acceptable strategy for constructing a contrasting ethnic identity. This paper explores the ways in which ethnicity is constructed in a New Zealand Māori organization that comprises an ethnically distinct community of practice. An extended narrative sequence (extracted from a naturally occurring meeting) is analyzed in detail for this purpose. Despite the predominance of English as the language of work in this organization, there is abundant evidence of the pervasive relevance of Māori cultural principles. For these workers, ethnicity acts as a backdrop for all their workplace communication; well-established culturally based norms underpin the ways in which they interact, and the ways in which they construct their social (including ethnic) identity. In this context, the stories told at work contribute not only to the construction of the ethnic identity of individual speakers, but also provide a means for co-constructing a distinctive Māori identity for the group.
Lesions of the Medial Striatum in Monkeys Produce Perseverative Impairments during Reversal Learning Similar to Those Produced by Lesions of the Orbitofrontal Cortex
Authors: Clarke Hannah F. , Robbins Trevor W. , Roberts Angela C. 
Published: October 2008

The ability to switch responding between two visual stimuli based on their changing relationship with reward is dependent on the orbitofrontal cortex (OFC). OFC lesions in humans, monkeys, and rats disrupt performance on a common test of this ability, the visual serial discrimination reversal task. This finding is of particular significance to our understanding of psychiatric disorders such as obsessive–compulsive disorder (OCD) and schizophrenia, in which behavioral inflexibility is a prominent symptom. Although OFC dysfunction can occur in these disorders, there is considerable evidence for more widespread dysfunction within frontostriatal and frontoamygdalar circuitry. Because the contribution of these subcortical structures to behavioral flexibility is poorly understood, the present study compared the effects of excitotoxic lesions of the medial striatum (MS), amygdala, and OFC in the marmoset monkey on performance of the serial reversal task.All monkeys were able to learn a novel stimulus–reward association but, compared with both control and amygdala-lesioned monkeys, those with MS or OFC lesions showed a perseverative impairment in their ability to reverse this association. However, whereas both MS and OFC groups showed insensitivity to negative feedback, only OFC-lesioned monkeys showed insensitivity to positive feedback. These findings suggest that, for different reasons, both the MS and OFC support behavioral flexibility after changes in reward contingencies, and are consistent with the hypothesis that striatal and OFC dysfunction can contribute to pathological perseveration.
Interaction of Chemical Reactive Species – Investigated with Spin-Lattice Relaxation and NOE Measurements
Authors: Oßmann A. , Berger S. 
Published: October 2008

Abstract
The paper describes attempts to detect interactions or encounter complexes between reacting molecules, although the individual molecules might not succeed in forming a reaction product. As an example, the Diels-Alder reaction is chosen, and the technique employed comprises NMR T
1 and NMR NOE measurements. In the case of the intermolecular Diels-Alder reaction both methods were not successful, in the intramolecular Diels-Alder reaction NOE results are able to predict the stereochemical outcome.
Unusually Slow Intermolecular Proton-Deuteron Exchange in Porphycene
Authors: Fita Piotr , Urbanska Natalia , Radzewicz Czeslaw , Waluk Jacek 
Published: October 2008

Abstract
The rates of the intermolecular exchange of two internal protons by deuterons have been determined for alcohol solutions of porphycene and its 2,7,12,17-tetra-t-butyl derivative using femtosecond pump-probe polarization spectroscopy. The process is very slow, requiring approximately twenty hours to substitute both protons by deuterons in more than 90% of the molecules dissolved in bulk EtOD or BuOD at 293 K. Equal rates were found for the exchange of the first and the second proton.
The Competition of the Loss of a Beta Fluoride and Hydron Transfer Between Carbon and Oxygen During Exchange and Elimination Reactions
Authors: Koch Heinz F. , Koch Judith G. , Mishima Masaaki , Iacono Pasquale , Wedgwood Nicole M. 
Published: October 2008

Abstract
Reactions of methanolic sodium methoxide with the series p-CF3C6H4C
i
HClRX [RX is -CH2Cl, -CH2F, -CHClF, -CHF2, -CF2Cl or -CF3] are reported to probe reaction mechanisms for dehydrohalogenation reactions compared to hydron exchange. All of the dehydrochlorinations and dehydrofluorinations from CH2F occur by a two step mechanism via a hydrogen-bonded carbanion intermediate. Dehydrofluorinations from CHF2 occurs via a carbanion no longer stabilized by a hydrogen bond and the fluoride ion is eliminated faster than proton transfer from methanol. Reactions from the CF3 occur from a similar intermediate but exchange of the benzylic proton is faster than the dehydrofluorination. Reactions of ethanolic sodium ethoxide are also reported with the series p-CF3C6H4C
i
HFRX [RX is -CH2F, -CHF2, -CF2Cl or -CF3]. Density functional calculations using B3LYP/6-31+G(d,p) were used to probe the compounds and intermediates.
Infrared Absorption Spectra in the Hydroxyl Stretching Regions of Gaseous Tropolone OHO Isotopomers
Authors: Redington Richard L. , Redington Theresa E. , Sams Robert L. 
Published: October 2008

Abstract
Fourier transform infrared (FTIR) absorption spectra in the 2000 to 3500 cm–1 range are reported for the gaseous 16
O,
16
O- and 18
O,
18
O-isotopomers of tropolone[OH(OD)] at 25 oC. The spectral doublet component separations are near 20 and 19 cm–1 for 16
O,
16
O- and 18
O,
18
O-Tp(OH), respectively, and near 7 and 6.5 cm–1 for 16
O,
16
O- and 18
O,
18
O-Tp(OD). The spectra suggest the tautomerization tunneling mechanisms in these states are complex multidimensional processes including the participation of IVR. In general, the OHO isotope effects demonstrate a mixing of O atom displacement coordinates into the intramolecular dynamics for most of the vibrational states observed in the fundamental CH/OH(OD) stretching regions.
NMR Study of Blue-Shifting Hydrogen Bonds Formed by Fluoroform in Solution
Authors: Golubev Nicolai S. , Denisov Gleb S. , Macholl Sven , Smirnov Sergei N. , Shenderovich Ilja G. , Tolstoy Peter M. 
Published: October 2008

Abstract
Low-temperature (193 K) 1H, 13C and 15N NMR spectra of blue- and red-shifting H-bonded complexes formed by fluoroform with various proton acceptors were measured. Experimental NMR parameters were plotted versus the ab initio calculated H-bond strength (MP2/6–31+G(d, p); interaction energy varies from ~5 up to 25 kJ · mol−1 in the series). We show that experimental 1H and 15N shieldings, as well as the H/D isotope effect on 13C shielding change monotonously with the calculated H-bond strengthening. The 13C chemical shift and the CH scalar coupling change non-monotonously and the extremum points are situated approximately in the region of transformation from blue- to red-shifting H-bonds. The most informative NMR feature is the H/D isotope effect on 15N shielding which changes its sign upon transformation from blue- to red-shifting H-bonds.
To rationalize these observations, ab initio calculations of 13C and 15N shieldings as functions of C···H and C···N distances were performed for complexes of CHF3 with acetonitrile (blue-shifting) and pyridine (red-shifting). The coupling of the vibrations of the covalent and hydrogen bonds has been accounted for by direct computation of the distance C···N = f(C···H) dependence. We demonstrate that the unusual sign of the H/D isotope effect on 15N chemical shift across a blue-shifting H-bond can be explained as a result of the inversion of the dynamic coupling of two vibrations.
The Effect of Environment on the Dynamics of Proton Dissociation in Water
Authors: Radozkowicz Limor , Project Elad , Gepshtein Rinat , Nachliel Esther , Huppert Dan , Gutman Menachem 
Published: October 2008

Abstract
The effect of the local ordering of water molecules, adjacent to the molecular surface, on the dynamics of excited state proton transfer to bulk was monitored with the pyranine-γ-CD inclusion complex as a model. The bound pyranine (a commonly used photoacid) exhibits slower dissociation dynamics, with activation energy of the proton dissociation reaction that is significantly higher than that of the reaction of the free pyranine. To understand the source of these modulations of the rate constants, the interaction of the pyranine with the water was investigated by molecular dynamics calculations. The solvation patterns of both; the pyranine and γ-CD, differ in the complex from that of the free compounds. In the case of the pyranine´s hydroxyl, the inclusion in the torus of the γ-CD reduces the number of water molecules in its immediate vicinity and their ordering, thus accounting for the variation in the rates of the proton transfer reactions. On increasing the temperature, the water of the pyranine´s hydroxyl third solvation shell, but not those of the first and the second shell, lose their strict orientation, thus facilitating the dissociation of the pyranine.
Ortho-Nitrobenzaldehyde 1:1 Water Complexes. The Influence of Solute Water Interactions in the Vertical Excited Spectrum
Authors: Leyva Veronica , Corral Ines , Gonzalez Leticia 
Published: October 2008

Abstract
The intermolecular hydrogen bonding interaction of a water molecule with the caging group ortho-nitrobenzaldehyde (o-NBA) has been studied by means of quantum mechanical methods. The o-NBA chromophore presents two functional groups, NO2 and CHO, interconnected by an intramolecular hydrogen bond. Both groups compete for the interaction with the solvent molecule, leading to eleven possible stable isomers that are very close in energy. The effect of the binding water on the electronic properties of o-NBA has been analyzed in structural terms as well as using the atoms-in-molecules theory of Bader. Binding energies for all complexes are reported, and in general they range from 5 to 13 kJ/mol. Special attention has been paid to the effect of the water molecule on the vertical excitation energies of o-NBA. Upon water complexation the absorption spectrum of o-NBA shifts to higher energies and it is characterized by three bands of comparable intensities as those recently measured for o-NBA in gas phase.
Where are Protons and Deuterons in KH
p
D1
–

p
CO3? A Neutron Diffraction Study
Authors: Fillaux Francois , Cousson Alain 
Published: October 2008

Abstract
The crystals of potassium hydrogen carbonate (KHCO3) and the KDCO3 analogue are isomorphous. They are composed of hydrogen or deuterium bonded centrosymmetric dimers (HCO3
–)2 or (DCO3
–)2. The space group symmetry of KH
p
D1
–

p
CO3 (p ≈ 0.75) determined with neutron diffraction is identical to those of KHCO3 and KDCO3. This is at variance with a random distribution of H and D nuclei. These crystals are macroscopic quantum systems in which protons or/and deuterons merge into macroscopic states.
Mechanisms of Double Proton Transfer. Theory and Applications
Authors: Smedarchina Zorka , Siebrand Willem , Fernandez-Ramos Antonio , Meana-Paneda Ruben 
Published: October 2008

Abstract
An analytical two-dimensional (2D) potential-energy surface based on two equal hydrogen bonds coupled by a correlation term, recently introduced [J. Chem. Phys. 127 (2007) 174513] to describe the dynamics of double proton transfer, is reviewed and generalized. It is then applied to the evaluation of proton transfer dynamics in a number of realistic systems, namely several molecules and dimers that exhibit various degrees of correlation between the motions of the two protons. The three parameters required to generate this 2D potential are derived from electronic structure and force field calculations, such that they include implicitly the effect of coupled skeletal modes. It follows that explicit introduction of such coupled modes is not required to obtain the basic relations that define the stationary points of the 2D surface, and thereby the reaction mechanism. Based on these relations, a detailed analysis is reported of a variety of systems exhibiting double proton transfer, including, apart from previously investigated porphine and porphycene, representing weak correlation, and the formic and benzoic acid dimers, representing strong correlation, two newly investigated systems which shed light on the hitherto not represented intermediate correlation category, namely naphthazarin, and the 4-bromopyrazole dimer.
Towards Toroidal Hydrogen Bonds
Authors: Barth Ingo , Manz Jörn , Perez-Hernandez Guillermo , Sebald Peter 
Published: October 2008

Abstract
We present hydrogen bonds with toroidal densities of the protons, called toroidal hydrogen bonds, in systems with cylindrical symmetry e.g. triatomic molecules AHB or ions AHB+ or AHB–. These may be prepared by excitation of the degenerate bending vibrations and related pseudorotation such that the hydrogen atom (or the corresponding proton) is no longer located on the symmetry axis between atoms A and B, but – classically speaking – it rotates around that axis. Quantum mechanically, the toroidal hydrogen bond is represented by an excited nuclear eigenstate with nuclear wavefunction and corresponding nuclear density which have toroidal shapes around the central nodal line which conincides with the AB symmetry axis. The properties of these bonds are analyzed, including the pseudorotational angular momentum. Toroidal hydrogen bonds may be excited by means of circularly polarized infrared (IR) laser pulses. The results are demonstrated exemplarily for the oriented model system FHF–, by means of combined quantum chemistry calculations of the potential energy and dipole surfaces (adapted from L. González, G. Pérez-Hernández, J. González-Vázquez, (2008), submitted), calculations of the vibrational and pseudorotational states in the frame of Watson’s isomorphic Hamiltonian for linear molecules (J. K. G. Watson, Mol. Phys. 19 (1970) 465), and quantum dynamics simulations of the laser driven nuclear dynamics, analogous to recent applications to CdH2 (I. Barth, J. Manz, P. Sebald, Chem. Phys. 346 (2008) 89).
Hydrogen Tunneling in Glucose Oxidation by the Archaeon Thermoplasma acidophilum
Authors: Anandarajah Kandiah , Schowen K. Barbara , Schowen Richard L. 
Published: October 2008

Abstract
The thermophilic archaeon Thermoplasma acidophilum, with an optimal growth temperature in the region of 60 °C, has evolved a D-glucose dehydrogenase, dependent on NADP+ and accepting only the β-anomer of D-glucose, that exhibits a temperature dependence of the rate constants k
cat/K
mβ for 1-h-β-D-glucose and 1-d-β-D-glucose that indicate two modes of quantum tunneling in the hydride-transfer reaction from substrate to NADP+. Near the optimal temperature for the organism, tunneling seems to occur in a prepared configuration that has most logically been designed by molecular evolution. At lower temperatures, a discontinuity in the temperature dependence of the catalytic rate constant is observed and is thought to arise from a protein structural transition. Below the transition temperature, tunneling appears to occur by a mechanism involving sequential configurational searches for a tunneling state, as is more commonly observed in non-enzymic reactions.
DFT Calculations of 51V Solid-State NMR Parameters of Vanadium(V) Model Complexes
Authors: Gutmann Torsten , Schweitzer Annika , Wächtler Maria , Breitzke Hergen , Buchholz Axel , Plass Winfried , Buntkowsky Gerd 
Published: October 2008

Abstract
Two cis-dioxovanadium(V) complexes and three monooxovanadium(V) complexes with different coordination numbers and ligand spheres, serving as model complexes for vanadium haloperoxidases, were studied by 51V solid-state NMR spectroscopy. The most important 51V solid-state NMR parameters (quadrupolar coupling constant C

Q
, asymmetry of the EFG tensor η

Q
, isotropic chemical shift δ

iso
, chemical shift anisotropy δ

σ
, asymmetry of the CSA tensor η

σ
and the Euler angles α, β and γ) describing the quadrupolar and chemical shift anisotropy interactions were determined theoretically with DFT methods employing the B3LYP functional and experimentally using genetic fitting algorithms. Calculations of δ

iso
values were treated with different referencing values of VOCl3 computed with different-sized basis sets using the “counterpoise method”. The calculated C

Q
values were discussed in terms of the quadrupolar moment Q. Absolute tensor orientations of CSA and EFG tensors were computed by DFT. These orientations were found to correlate to structural features of the model complexes.