bluuebunny/crossref_metadata_2025_split huggingface dataset:
Lifestyle Behaviours and Personal Responsibility for Health
Authors: Thirlaway Katie , Davies Lindsey 
Published: September 2013

Abstract

Deleterious lifestyle behaviours pose a formidable threat to public health but one for which the solution – modest changes in lifestyle choices is tantalising low cost and nontoxic. Personal responsibility for lifestyle choices, once a government mantra, is increasingly being challenged as the complex relationships between sociocultural and environmental conditions and personal choice are recognised.
Individuals make frequent lifestyle choices that affect their health and it is intuitively assumed that these choices are made through free will. However, it is argued that in order for an individual to be considered fully responsible, certain preconditions must ideally be met; their actions must be informed, voluntary, uncoerced, spontaneous and deliberated. These preconditions are problematic when applied to lifestyle behaviours. They fail to acknowledge that health behaviours are influenced by many competing factors: cultural pressures, health literacy, health inequalities, mental capacity, genetic predisposition and in the case of smoking and alcohol, addiction to a substance. Understanding which risk factors are within or outside of the individual's control is necessary when discussing responsibility for health. A balanced opinion would therefore suggest that lifestyle behaviours are influenced by a complex interplay of intrapersonal and extrapersonal factors. And responsibility varies for individuals along a continuum.

Key Concepts:

Individual personal responsibility for lifestyle choices lies on a continuum between complete free will and no choice.

Individual personal responsibility for health is dependent on cultural pressures, health literacy, health inequalities, mental capacity, genetic predisposition and in the case of smoking and alcohol, addiction to a substance.

Health behaviour is determined in part by perceptions of control over performance of the behaviour which will vary from individual to individual.

Advances in our understanding of the genetic aetiology of so‐called lifestyle diseases and their associated behaviours present new challenges for determining those risk factors that are under a person's control and those that are outside of it.

Providing people with genetic risk information may induce a sense of ‘fatalism’, the belief that little can be done to reduce the risk. Fatalism may be particularly relevant to perceptions of responsibility and control now that many diseases are thought to have a genetic aetiology.

Habit and addiction introduce an additional layer of complexity when debating personal responsibility for health. The very nature of dependency suggests that the individual is unable to control their use of a substance which is usually damaging to health.

Determining the precise degree by which an individual is responsible for lifestyle‐related health outcomes is complex and problematic.
AFMMethods forDNAAnalysis
Authors: Lyubchenko Yuri L. 
Published: September 2013

AbstractApplications of atomic force microscopy (AFM) to imaging ofDNAwith various structures, topologies, and complexes with proteins are reviewed. The emphasis is given to methods utilizing chemical functionalization of mica, enablingAFMvisualization of differentDNAstructures. Special attention is given to the possibility ofAFMto image the dynamics ofDNAat the nanoscale. The capabilities of time‐lapseAFMin aqueous solutions are illustrated by imaging of dynamic processes as transitions of local alternative structures (transition ofDNAbetween H and B forms). The application ofAFMto studies of protein–DNAcomplexes is illustrated by a few examples of imaging site‐specific complexes, as well as such systems as chromatin. The time‐lapseAFMstudies of protein–DNAcomplexes including very recent advances with the use of high‐speedAFMare reviewed.
Synchrotron RadiationX‐Ray Fluorescence Spectrometry
Authors: Iida Atsuo 
Published: September 2013

AbstractSynchrotron radiation X‐ray fluorescence(SXRF) spectrometry is anX‐ray fluorescence(XRF) spectrometry that usessynchrotron radiation(SR) for excitation source.SRis an ideal source for high‐precisionXRFanalysis of heterogeneous and complex materials because of its small source size, low divergence, high photon flux, and linearly polarized nature.SXRFanalysis is becoming an advanced and essential analytical technique in life and environmental sciences, medical applications, archaeological and cultural heritage applications, forensic chemistry, industrial applications, and earth and planetary sciences.SRprinciples and characteristics are described in relation toSXRFanalysis. Micro‐SXRF, which offers elemental imaging with high lateral spatial resolution, is the most attractive and importantSXRFtechnique, and is detailed including its instrumentation and applications. Confocal microscopy for depth analysis, fluorescence tomography forthree‐dimensional(3‐D) analysis, and projection‐type imaging for rapid analysis are also explained.SR‐excitedtotal reflection X‐ray fluorescence(TXRF) has been developed for trace elements, chemical state, and surface analyses. The development of the wavelength‐dispersive spectrometer and the use of high‐energy synchrotron X‐rays for high‐Zelement analysis are described briefly.
Rotation‐Vibrational States of H3+ using Hyperspherical Coordinates and Harmonics
Authors: Alijah Alexander , Hinze Juergen , Wolniewicz L. 
Published: September 2013

AbstractA new method for calculating rotation‐vibrational states of triatomic molecules is presented. It is based on an expansion of the wavefunction in terms of hyperspherical harmonics, which cover five coordinates, and numerical integration of the resulting set of differential equations in the remaining coordinate, the hyperradius ρ. The method is applied to H3+. Here we compare the results for two electronic surfaces, the Meyer‐Botschwina‐Burton surface and the new surface by Kutzelnigg and coworkers.
Anharmonische Konstanten von SiHCl3 und CHCl3
Authors: Fuß W. , Weizbauer S. 
Published: September 2013

AbstractMost of the anharmonic constants of trichlorosilane and ‐methane have been determined, with special emphasis to the values of x1i, i = 1 to 6. In both molecules, there is a strong Fermi resonance between hydrogen stretch and bend vibrations and Coriolis interaction between ν2 and ν5. Some irregularities in the hot band structures point to an interaction of ν1 with ν2 + 2ν4 and other higher order interactions. In SiHCl3, x13 and x16 are near 0, in agreement with a rule that nondiagonal anharmonicities between high‐ and low‐frequency vibrations tend to be small. In CHCl3, the corresponding values are larger, though still small. We discuss a possible correlation of such values with the frequency change of one of the vibrations, if the bond corresponding to the other one is dissociated. Ni(CO)4 is quoted as a further example. The data set could help in calculations of vibrational relaxation rates.
Stability and Size of ZEKE States
Authors: Alt C. E. , Scherzer W. G. , Selzle H. L. , Schlag E. W. 
Published: September 2013

AbstractExperiments on the photoionization of benzene and benzene clusters show very long lived molecular states above the ionization threshold. These states can further absorb photons to produce highly excited neutrals which maintain their Rydberg character even after fragmentation. These long lived ZEKE states also can undergo collision with simultaneously produced ions and transfer the ZEKE electron. The experiments show very large cross sections for high n Rydberg states, but still give only a minor contribution and hence can be usually neglected in typical ZEKE experiments at moderate laser intensities.
Interference between Franck‐Condon and Herzberg‐Teller Contributions in Naphthalene and Phenanthrene
Authors: Hohlneicher Georg , Wolf Joachim 
Published: September 2013

AbstractVibronically resolved spectra of the S0 S1 (1Lb) transitions of naphthalene and phenanthrene exhibit considerable deviations from mirror symmetry between absorption and emission. Intensity calculations confirm the suggestion that these deviations result from the interference of Franck‐Condon and Herzberg‐Teller contributions to the intensity of single vibronic transitions. These interferences provide a sensitive test for electronic wavefunctions. In the case of naphthalene all semiempirical MO‐methods seem to predict a qualitatively incorrect S1 wavefunction.
Self‐Broadening of Benzene in the ν14 Band
Authors: Waschull J. , Sumpf B. , Heiner Y. , Pustogov V. V. , Kronfeldt H.‐D. 
Published: September 2013

AbstractA pulse‐driven diode laser spectrometer was applied to measure broadening coefficients in the pP branch of the ν14 band of benzene, C6H6. Single line fit routines were established to evaluate the spectra. The self‐broadening coefficients near 1023.00 cm−1 vary from 0.40 cm−1/atm to 0.57 cm−1/atm (FWHM). No unambiguous quantum number dependence was observed.
Absolute Integrated Band Strength and Magnetic Dipole Transition Moments in the 2P3/2 → 2P1/2 Fine Structure (with Hyperfine Structure) Transition of the Iodine Atom: Experiment and Theory
Authors: Ha Tae‐Kyu , He Yabai , Pochert Jörg , Quack Martin , Ranz Roland , Seyfang Georg , Thanopoulos Ioannis 
Published: September 2013

AbstractPrevious experimental and theoretical results on the strength of the important fine structure transition in the Iodine atom scatter over a very wide range, indicating great uncertainty. We have therefore carried out new theoretical calculations and experiments to reinvestigate the transition probability between the fine structure levels 2P3/2 and 2P1/2 in the electronic ground configuration of atomic iodine. In the experiments a tunable, narrow band width, near‐IR laser was used to measure the iodine absorption spectrum with sub‐Doppler resolution. The I‐atoms in the 2P3/2 ground state are produced either in a I2 = 2I equilibriums at elevated temperatures or from IR‐multiphoton dissociation of CF3I, CF3CHFI or C6F5I. The two different experimental methods to produce I‐atoms in the ground state allow for a careful check on possible systematic errors. In the experiments an integrated absorption cross section of Gexp = ∫ σ(v) dln v = (1050±250) fm2 was determined, corresponding to a radiative lifetime of 140 ms for spontaneous emission from the upper level. We have in addition carried out nonrelativistic MCHF calculations and relativistic Dirac‐Fock calculations on this transition. The results of the MCHF calculations (1200 fm2) agree well with experiment and a crude estimate from a simple LS coupling model.
Measurements of Atmospheric Trace Gases by Emission and Absorption Spectroscopy with FTIR
Authors: Schär Klaus , Haus Rainer , Heland Jorg , Haak Andreas 
Published: September 2013

AbstractTo interpret infrared spectra of atmospheric measurements, a multi‐component air pollution software (MAPS) was developed for retrieval of gas concentrations from radiation emission as well as absorption measurements. The analysis of gas releases and ambient air is performed by a mobile remote sensing system with the double‐pendulum interferometer K300 of the company Kayser‐Threde which has a spectral range from 700 to 7800 cm−1 and a spectral resolution of 0.08 cm−1 maximum. These are passive radiation measurements to retrieve temperature and gas concentrations as CO, CO2, N2O, NO, SO2, HCl, and H2O concentrations in smoke stack effluents of thermal power plants and municipal incinerators, CO2, H2O, and CH4 from flares, and CO, CO2, NO and H2O in exhausts of aircraft engines. Open‐path radiation measurements are used to determine trace gases in ambient air and near diffusive sources as NH3 from stocking‐farming and cattle slurry spreaded grasslands, greenhouse gases, NOx, and HCHO from road traffic, CH4 from garbage deposits and open‐cast lignite mining, and to estimate VOC concentrations in a waste combustion plant. Solar absorption measurements at the IFU station on the summit of Zugspitze were outlined to determine atmospheric column densities of trace gases as HNO3.
Overtone Spectroscopy of Chloroform in a Supersonic Jet by Vibrationally Assisted Dissociation and Photofragment Ionization
Authors: Hippler Michael , Quack Martin 
Published: September 2013

AbstractWe demonstrate overtone spectroscopy by vibrationally assisted dissociation and photofragment ionization (OSVADPI) in a supersonic jet expansion of chloroform seeded into argon. By comparison with a room temperature spectrum it was possible to identify hot band transitions in the Nj = 41, CH‐stretch overtone spectrum thus obtained. In addition, transitions due to different isotopomers of chloroform and possible resonances are discussed, and assignments of the congested spectrum are suggested.
E. Spectroscopy and Dynamics of Clusters and Nonrigid Molecules: Experiment and Theory. State‐Selective Analysis of Ground‐State Vibrational Predissociation Product of an Aromatic van der Waals Complex
Authors: Droz T. , Bürgi T. , Leutwyler S. 
Published: September 2013

AbstractThe method previously presented for mass‐selective ground‐state vibrational spectroscopy of aromatic van der Waals complexes by populating ground‐state levels via a pump/dump laser pulse sequence, followed by selective resonant two‐photon ionization (R2PI) of the vibrationally relaxed complexes [T. Bürgi et al., Chem. Phys. Lett., 225, 351 (1994)] is here extended to the detection of the aromatic molecular product from the S0 state vibrational predissociation (VP) process. Schemes and results are presented which allow (a) extended measurements of intra‐and intermolecular vibrational frequencies of carbazole·Ar in the S0 state, (b) detection of vibrationally hot, but rotationally cold carbazole VP product, and (c) vibrationally and rotationally hot carbazole VP products. A much improved determination of the van der Waals dissociation energy was made by combining results from various experiments, as D0(S0) = 530±1.5 cm−1.
The Rotational Spectrum of the Benzene‐Carbonyl Sulfide Complex. A Contribution to the Theory of Internal Rotation with Heavy Tops
Authors: Dahmen U. , Dreizler H. , Stahl W. 
Published: September 2013

AbstractThe rotational spectra of the four isotopomers normal, d1, d6, 18O of the benzene‐carbonyl sulfide complex, C6H6 ‐ OCS, have been analyzed. The interpretation of the rotational spectra as quasi symmetric top spectra has been deduced from the internal rotation theory. Most probably the carbonyl sulfide is perpendicular to the plane of benzene with sulphur towards benzene. The distance between the centers of mass of the partners is 4.42 Å.
Density‐Functional Approach to Atoms in Strong Laser Pulses
Authors: Ullrich C. A. , Gossmann U. J. , Gross E. K. U. 
Published: September 2013

AbstractA density functional formalism for time‐dependent systems comparable to the theory of Hohenberg, Kohn and Sham is presented. In this approach, the time‐dependent density can be obtained (in principle exactly) from a set of time‐dependent single‐particle (Kohn‐Sham) equations. In order to apply the time‐dependent Kohn‐Sham scheme in practical calculations, an effective time‐dependent single‐particle potential is needed. Given an expression for the quantum mechanical action A [ø1…øN] of an N‐electron system as a functional of N time‐dependent orbitals, we present a method of constructing the variationally best local time‐dependent single‐particle potential which, when inserted in a time‐dependent single‐particle Schrödinger equation yields orbitals {øj} that make A [ø1…øN] stationary. We also propose a simplification of this scheme leading to a time‐dependent generalization of the static optimized effective potential recently introduced by Krieger, Li and Iafrate [Phys. Lett. A 146, 256 (1990)]. Applications of this scheme to the case of a beryllium atom in a strong laser pulse are presented.
G. Intramolecular Vibrational‐Rotational Redistribution, Anharmonic and Rovibronic Interactions. Vibrational Overtone Spectra of Jet‐Cooled CF3H by Infrared Laser Assisted Photofragment Spectroscopy
Authors: Boyarkin O. V. , Settle R. D. F. , Rizzo T. R. 
Published: September 2013

AbstractUsing our recently developed technique of infrared laser assisted photofragment spectroscopy (IRLAPS), we have measured four vibrational overtone bands of jet‐cooled CF3H in the N = 4 and N = 5 CH stretch‐bend polyads. The cooling in the expansion eliminates much of the rotational congestion and reveals homogeneous structure which reflects the vibrational coupling of the stretch bend states with other modes of the molecule. This homogeneous structure indicates that the coupling of the stretch‐bend states to the rest of the molecule is 20–2000 times weaker than the stretch bend coupling itself and implies a hierarchy of time scales in the vibrational energy redistribution of the excited molecule. The overtone spectra of the jet‐cooled molecules also reveal a wide variation in the coupling strengths of the stretch‐bend states to the other modes, suggesting that the coupling depends upon the presence of specific low‐order resonances rather than on the total density of states.
Overtone Spectroscopy of CHD3 in Liquid Argon Solutions
Authors: Blunt Victor M. , Brock Ansgar , Manzanares I. Carlos 
Published: September 2013

AbstractThe vibrational overtone spectrum of CHD3 has been obtained in liquid argon solutions at temperatures around 94 K. The spectra of C‐H and C‐D overtones below 10000 cm−1 were obtained with a Fourier transform spectrophotometer operating in the near‐infrared region and a low temperature cell. The C‐H spectrum around Δv = 5 was recorded using a resonant photoacoustic technique at cryogenic temperatures. The absorption bands were computer deconvoluted to obtain the peak absorption frequency, the band‐width, and the area of some important bands. Due to the small frequency shift of the absorption bands in solution with respect to the gas phase frequencies, the assignment of the transitions was made by comparison with experimental and calculated gas phase frequencies. The calculation of gas phase frequencies and vibrational states was made using the pure local mode model for the isolated C‐H bond and the Harmonically Coupled Anharmonic Oscillator (HCAO) model for the three equivalent C‐D bonds. In order to test the Fermi resonance interaction between C‐H stretching and bending vibrations, the absorption bands and relative intensities in solution were used to obtain the parameters of an effective Fermi resonance Hamiltonian. The values of the parameters obtained in solution and gas phase are very close in magnitude. The optimized parameters of the Fermi resonance Hamiltonian give a good description of the frequencies and relative intensities of the C‐H absorption bands in solution.
Ultrafast Transient Absorption Studies of Hematite Nanoparticles: The Effect of Particle Shape on Exciton Dynamics
Authors: Fitzmorris Bob C. , Patete Jonathan M. , Smith Jacqueline , Mascorro Xiomara , Adams Staci , Wong Stanislaus S. , Zhang Jin Z. 
Published: September 2013

AbstractMuch progress has been made in using hematite (α‐Fe2O3) as a potentially practical and sustainable material for applications such as solar‐energy conversion and photoelectrochemical (PEC) water splitting; however, recent studies have shown that the performance can be limited by a very short charge‐carrier diffusion length or exciton lifetime. In this study, we performed ultrafast studies on hematite nanoparticles of different shapes to determine the possible influence of particle shape on the exciton dynamics. Nanorice, multifaceted spheroidal nanoparticles, faceted nanocubes, and faceted nanorhombohedra were synthesized and characterized by using SEM and XRD techniques. Their exciton dynamics were investigated by using femtosecond transient absorption (TA) spectroscopy. Although the TA spectral features differ for the four samples studied, their decay profiles are similar, which can be fitted with time constants of 1–3 ps, approximately 25 ps, and a slow nanosecond component extending beyond the experimental time window that was measured (2 ns). The results indicate that the overall exciton lifetime is weakly dependent on the shape of the hematite nanoparticles, even though the overall optical absorption and scattering are influenced by the particle shape. This study suggests that other strategies need to be developed to increase the exciton lifetime or to lengthen the exciton diffusion length in hematite nanostructures.
Pair‐wise analyses of the effects of demographic processes, vital rates, and life stages on the spatiotemporal variation in the population dynamics of the riparian tree Aesculus turbinata Blume
Authors: Kaneko Yuko , Takada Takenori 
Published: September 2013

AbstractPopulation growth rates (λ) of the riparian tree Aesculus turbinata varied from 0.9988 to 1.0524 spatiotemporally. We conducted a series of pair‐wise demographic and matrix analyses, including randomization tests, three types of life table response experiments (LTREs), analysis of variance and χ2 tests, to test which life stages had the greatest effect on this variation in λ. Randomization tests detected significant variations in λ between plots affected or not by typhoons in three habitats and between periods with high and low recruitment in one habitat. Mixed‐level LTREs identified that the demographic processes and life stages that had the strongest effect on the actual variation in λ were: (1) progressions of small and intermediate juveniles and (2) founding process from seeds to 1‐year‐old seedlings. These juvenile stages had medium sensitivities and variances that explained high upper‐level LTRE contributions. Lower‐level LTREs showed that the vital rates contributing the most were the growth rates of these juvenile stages. These findings demonstrate that progression from one stage to the next, growth rates of 1‐year‐old seedlings, and stunted aging juveniles are the most important stages in the population dynamics of this long‐lived primary tree species. Transition matrix elements with high elasticities had little effect on the variation in λ, indicating that high‐elasticity vital rates do not necessarily drive variation in population growth. As compared with the results of randomization tests, significant differences in vital rates examined using ANOVA or χ2 tests showed that typhoon disturbance had the greatest effect on the demographic parameters of individual trees.
Integrierte Versorgungsverträge und Kassenwettbewerb
Authors: Amelung Volker E. , Wolf Sascha , Krauth Christian 
Published: September 2013

Einleitung
Der selektivvertragliche Wettbewerb zwischen den Krankenkassen ist ins Stocken geraten. Folge ist, dass das Innovationspotenzial der Akteure des Gesundheitswesens bei weitem nicht ausgeschöpft wird. Die Erfahrung lehrt, dass zusätzliche Anreize benötigt werden. Die Investitionsbereitschaft der Akteure könnte durch Einführung eines Innovationsfonds deutlich erhöht werden. Zudem ist die Schaffung eines niedrigschwelligen und unbürokratischen Zugangs für Innovationen zum System anzuraten.
Der präventive Imperativ und die Ökonomisierung des Sozialen
Authors: Bröckling Ulrich 
Published: September 2013

Einleitung
Der Artikel skizziert in soziologischer Perspektive die Handlungslogik von Prävention und zeigt auf, warum die zeitgenössische Vermarktlichung des Gesundheitswesens mit dem Aufstieg vorbeugender Strategien der Aktivierung und Responsibilisierung einhergeht.