bluuebunny/crossref_metadata_2025 huggingface dataset:
Expression AnalysisIn Vitro
Authors: Colosimo Alfredo
Published: September 2013

Expression analysisin vitrois a constantly evolving field, consolidated in the fourth quarter of the last century and essentially based on the use of a template ofribonucleic acid (RNA), for a translation reaction, or ofdeoxyribonucleic acid (DNA), in a coupled transcription–translation system. Traditional applications of expression analysisin vitrocover a wide range of structural and functional studies on proteins and nucleotides using methodologies like yeast one‐, two‐ and three‐hybrid systems, reporter genes, phage display, DNase footprinting, methylation interference assays and gel‐shift assays. Moreover, in the last decadesin‐vitroexpression analyses benefitted from substantial advancements, mostly associated with the use of a number of refined cell‐free protein synthesis methods and of microarrays and nanodevices. The frequency trends of related keywords in a huge database of English books published all over the world and covering a wide, recent time window provide an indirect – although highly suggestive – estimate of their relative importance in the next years.

Key Concepts:

In‐vitroexpression systems can: (1) be used for the expression of toxic, proteolytically sensitive or unstable proteins; (2) incorporate unnatural amino acids and (3) allow the addition of exogenous factors to study enzymatic activity, and of microsomal membranes to study post‐translational modifications.

Application ofin‐vitroexpression systems include: (1) site‐specific methods that utilise tRNA charged with any number of unnatural amino acids; (2) the use of putative DNA‐binding proteins such as transcription factors and (3) improving particular features of preexisting molecules like ultraspecificity, affinity and reaction rate.

The intrinsic appealing ofin‐vitroexpression analysis has been reinforced in the last decades thanks to refined cell‐free protein synthesis (CFPS) methods, microarrays (MA) and nanodevices (ND), whose evolution occurred at a remarkably fast pace. The data flow streaming out of the above‐mentioned techniques demands, in any case, massive statistical analyses and systematic cross‐checking of results by independent strategies.
Energy and Biodiversity
Authors: Turner John RG
Published: September 2013

The biodiversity level (number of species) of the Earth declines from the tropics to the poles and is strongly correlated with temperature and water availability. ‘Energy theories’ provide a simple explanation: more energy=more organisms=more species, but the question is more complex, and the empirical evidence equivocal. Theoretical models try to show how energy/climate can influence species birth (speciation), species death (extinction) and species migration; but there is only limited understanding of what controls these parameters, which may further be influenced by planetary area (smaller towards the poles) and the intricate processes of adaptive evolution, which build highly structured communities. The distribution of life is further deeply influenced by long‐ and short‐term climatic change. The three main explanations of the biodiversity gradient are therefore (1) energy theories, (2) area theories, (3) climate change theories and (4) community‐building theories.

Key Concepts:

The latitudinal diversity gradient: Biodiversity (the number of species) declines from the tropics to the poles, and is strongly correlated with climatic temperature and rainfall.

Energy theories attempt to explain how climate influences the rates of speciation, species extinction and species migration.

The water–energy (interim general) model and the metabolic theory of ecology show how energy (and water) could affect biodiversity.

Dante's principle (species are adapted to their local climate) and the favourableness hypothesis propose that there are more species adapted to warmer climates than to cooler climates.

The privileged tropics: Most clades originate in the tropics which are a passport‐free zone for species and have an effectively much greater area and volume than any other part of the planet.

Niche conservatism: Species can adapt to novel conditions and expand their geographic ranges, but seem usually to be unable to do so.

The ‘more individuals hypothesis’ successfully explains how larger populations will produce more species, but is challenged by empirical evidence.

Community structure: Adaptive evolution produces intricate competitive and mutualistic relationships within ecological communities, whose species composition is not simply a random sample from the wider geographical community.

Biodiversity gradients will differ according to the grain of sampling (the quadrat size).

The biological volume of a geographic region is not measured by the simple area on the map, because from the organisms' point of view the area is fractally folded across the surface of the ground and the vegetation.
Molecular Genetics of Aniridia
Authors: Hingorani Melanie
Published: September 2013

Aniridia is a rare congenital disorder of eye development in which the characteristic feature is hypoplastic or absent iris tissue. Further ocular changes affecting the cornea, intraocular pressure, retina and lens can occur as the patient ages, which can lead to progressive visual loss and other changes such as optic nerve malformations may occur. Most typical aniridia cases are associated with dominantly inherited null mutations or deletions of the
PAX6
gene and the missense mutations are usually associated with mild aniridia or other ocular developmental abnormalities such as Peter's anomaly or isolated foveal hypoplasia. Rarely, mutations of other genes such as
FOXC1
can underlie aniridia. Clinical and genetic testing of new sporadic cases aids diagnosis and is crucial to exclude a risk of the malignant Wilms’ tumour. A testing strategy in which deletions are first assessed, followed by sequencing, is suggested as most efficient, particularly for ensuring that a risk of Wilms’ tumour is identified early to ensure screening for this tumour is not delayed in at‐risk individuals. Familial aniridia is much less likely to be associated with Wilms’ tumour risk but there can be marked phenotypic variability amongst family members. Long‐term care includes screening for and management of eye complications such as glaucoma and surgery for cataract, supportive care for visual impairment and long‐term renal monitoring and therapy for those with
WT1
deletions.

Key Concepts:

Aniridia is a rare, sight‐threatening panocular disorder.

The major clinical feature is congenital absence or hypoplasia of the iris; most cases also demonstrate foveal hypoplasia with reduced visual acuity and nystagmus.

Progressive sight‐threatening complications occur later and include keratopathy, cataract and glaucoma.

The
PAX6
gene at 11p13 encodes a highly conserved transcription factor crucial for early ocular development.

In the vast majority of cases, aniridia is caused by loss of function of one copy (haploinsufficiency) of the
PAX6
gene by intragenic mutation or chromosomal rearrangement.

Missense mutations in the
PAX6
paired domain often cause other ocular phenotypes such as Peter's anomaly and foveal hypoplasia but may also cause a mild aniridia phenotype.

Familial aniridia cases show autosomal‐dominant inheritance with high penetrance but considerable phenotypic heterogeneity.

Newborns with sporadic aniridia are at high risk of the malignant Wilms’ tumour if they have a deletion encompassing
PAX6
and the nearby
WT1
gene. Such deletions may manifest as WAGR syndrome.

A genetic testing strategy that assesses for deletions first and then sequencing will ensure the early identification of a high risk for Wilms’ tumour and directs sequencing to those more likely to have intragenic mutations.
Antiviral Resistance Testing
Authors: Mbisa Jean Lutamyo
Published: September 2013

The number of antiviral drugs approved for clinical use has dramatically increased in the past 25 years. However, the use of the drugs may result in the development of resistance mutations in viral genes targeted for therapy. As a result, antiviral resistance testing is commonplace in many molecular diagnostic laboratories and has become a useful tool for the clinical management of viral infections that can be treated with antivirals. Antiviral resistance testing involves identification of the mutations using sequencing methods (genotyping) and determination of their effect on viral drug susceptibility using
in‐vitro
cell‐based assays (phenotyping). For viruses with well characterised resistance mutations, such as human immunodeficiency virus, genotypic methods that are fast and easier to perform are sufficient. However, phenotypic methods or a combination of both methods provide a comprehensive strategy for other viruses.

Key Concepts:

The majority of antiviral drugs target virus‐specific proteins important for viral replication.

Antiviral resistance develops via the emergence of mutations in viral genes targeted for therapy.

There are two main methods for the measurement of antiviral resistance namely, genotypic antiviral resistance testing and phenotypic drug susceptibility testing.

Genotypic antiviral resistance testing identifies mutations associated with drug resistance using sequencing techniques.

Genotypic interpretation systems (GISs) are rule‐based computational tools that rely on a database of sequence, clinical and laboratory information to translate the mutational pattern in amplified sequence into drug susceptibility levels using arbitrary scores.

Phenotypic drug susceptibility testing is a direct measure of the ability of a virus isolate to replicate in the presence of a specific drug using an
in‐vitro
cell culture system.

The clinical significance and utility of detecting minority drug resistance mutations present at less than 20% of the population has yet to be fully determined.
Germline Genomic Copy Number Variation Contribution to Cancer Predisposition
Authors: Silva Amanda Gonçalves , Rodrigues Tatiane Cristina , Pearson Peter Lees , Rosenberg Carla , Krepischi Ana Cristina Victorino
Published: September 2013

The majority of familial cancer remains with unknown genetic aetiology. Issues impairing the discovery of new genes in complex diseases such as cancer include multifactorial origin, incomplete penetrance of the disease and late‐onset. The authors present an outline of the contribution of constitutive
deoxyribonucleic acid
copy number variations (CNVs) in cancer predisposition. Even though the mechanisms by which germline CNVs influence disease are hitherto largely speculative, nowadays it is consensual that they play a major role in a range of human pathologies. Point mutations have been far more commonly described, mainly because sequencing is the first‐tier diagnostic test, but deletions and duplications of known cancer genes have been reported as an alternative mechanism for cancer susceptibility. Additionally, CNV screening in familial cancer cohorts with unknown genetic aetiology has pointed to new candidate genes for high cancer risk. Therefore, this type of genomic variation must be taken into account in the cancer risk assessment.

Key Concepts:

Structural variation, including copy number variation (CNV), is responsible for a large fraction of the genetic diversity of the human genome.

CNVs can be inherited in a Mendelian fashion or occur
de novo
.

Germline CNVs play an important role in a range of human pathologies through several mechanisms, mainly affecting gene dosage or function.

Nearly half of the approximately 100 Mendelian cancer predisposition genes were also reported as rare pathogenic germline CNVs.

Next‐generation sequencing (NGS) combined with automated high throughput data analysis is the most promising approach for elucidating the contribution of both CNVs and point mutations to cancer predisposition.
Genetics of Lipoprotein(a) in Relation to Coronary Heart Disease
Authors: Enkhmaa Byambaa , Anuurad Erdembileg , Zhang Wei , Abbuthalha Adnan , Berglund Lars
Published: September 2013

Lipoprotein(a), Lp(a), a complex between a low‐density lipoprotein‐like lipid moiety containing apolipoprotein (apo) B, and apo(a), a plasminogen‐derived, carbohydrate‐rich, hydrophilic protein, is one of the most genetically regulated cardiovascular risk factors. For any given population, Lp(a) levels are distributed in a skewed fashion and are strongly impacted by polymorphisms of the
LPA
gene. The quantitatively most impactful polymorphism results in a variable number of kringle 4 (K4) units, a key motif of apo(a) that predicts Lp(a) levels and has been associated with cardiovascular risk. In addition, other
LPA
genetic variants impact Lp(a) levels and may contribute to interethnic Lp(a) level variability. Further, it has been suggested that genetic variants beyond the
LPA
gene may affect Lp(a) levels. Recent studies using Mendelian randomisation approaches have documented an association between Lp(a) and cardiovascular disease and are indicative of a causal relationship.

Key Concepts

Lp(a) is a type of plasma lipoprotein synthesised in the liver, and consists of a cholesteryl‐ester‐rich lipid core and one molecule each of two different apolipoproteins, apoB‐100 and apo(a).

LPA
, the gene encoding apo(a) located on chromosome 6, is evolved from the plasminogen gene during primate evolution, and has repeated triloop structures called kringles (K).

Lp(a) levels differ significantly between individuals and ethnicities, and are regulated to a major extent by genetics through the
LPA
gene.

A copy number variation (i.e. apo(a) size polymorphism) in the
LPA
gene plays an important role in Lp(a) regulation, and smaller apo(a) sizes with fewer K repeats, in general, are associated with higher Lp(a) levels.

Additionally, some other single‐nucleotide polymorphisms (SNPs) in the
LPA
gene, as well as in some other non‐
LPA
genes, have been shown to influence Lp(a) levels.

Although the physiological function of Lp(a) is not well understood, its role in the development of atherosclerotic cardiovascular disease is increasingly well documented, and is recognised in clinical guidelines.

Lp(a) levels are not appreciably affected by lifestyle improvements (diet, exercise, etc.); however, some nongenetic factors such as hormones, menopausal status, inflammatory burden and immune status have been shown to impact Lp(a) levels.

Currently, no drug can specifically and effectively lower high Lp(a) levels, but development of this type of treatment is in progress.
Lifestyle Behaviours and Personal Responsibility for Health
Authors: Thirlaway Katie , Davies Lindsey
Published: September 2013

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

Applications 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

Synchrotron 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

A 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

Most 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

Experiments 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

Vibronically 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

A 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

Previous 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

To 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

We 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

The 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

The 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

A 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

Using 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

The 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

Much 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.
Modified Higgs physics from composite light flavors
Authors: Delaunay Cédric , Grojean Christophe , Perez Gilad
Published: September 2013

Abstract

We point out that Higgs rates into gauge bosons can be significantly modified in composite pseudo Nambu-Goldstone boson (pNGB) Higgs models if quarks belonging to the first two generation are relatively composite objects as well. Although the lightness of the latter a priori screen them from the electroweak symmetry breaking sector, we show, in an effective two-site description, that their partners can lead to order one shifts in radiative Higgs couplings to gluons and photons. Moreover, due to the pseudo-Goldstone nature of the Higgs boson, the size of these corrections is completely controlled by the degree of compositeness of the individual light quarks. The current measurements of flavor-blind Higgs decay rates at the LHC thus provide an indirect probe of the flavor structure of the framework of pNGB Higgs compositeness.
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

Population 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.
Enhancing Learning-Centeredness in Marketing Principles Curriculum
Authors: von der Heidt Tania , Quazi Ali
Published: September 2013

Contemporary learning-centred (LC) teaching and learning approaches are vital to help learners develop lifelong skills for employability in the digital age. This paper relates the knowledge and experiences gained from a study to enhance LC in a first-year core marketing curriculum undertaken in a blended learning environment by large, diverse groups of business students in an Australian tertiary educational institution. The study involved (1) measuring the degree of presence of LC in the 2011 curriculum, (2) identifying and exploring ways to enhance LC in the 2011 curriculum and (3) implementing selected new LC approaches to the 2012 curriculum and recording the outcomes of the new approach. A key LC technique introduced in line with the above process included an online collaborative writing using group blogs and wikis in a major, multi-part marketing plan assessment item. The findings of the research provide guidelines for enhancement of learning-centredness to reflective practice-oriented marketing/management educators committed to continuous improvement of their LC oriented curriculum for fostering students’ lifelong learning.
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.
Informal payments for health care services – Corruption or gratitude? A study on public attitudes, perceptions and opinions in six Central and Eastern European countries
Authors: Stepurko Tetiana , Pavlova Milena , Gryga Irena , Groot Wim
Published: September 2013

In this study we aim to compare the public perceptions towards informal patient payments in six Central and Eastern European countries (Bulgaria, Hungary, Lithuania, Poland, Romania and Ukraine). Overall, around 35–60% of the general public in each country has ever made informal payments, though informal cash payments are perceived negatively, mostly as corruption. In-kind gifts are often seen as a token of gratitude. However, significant differences among countries are observed. Despite the public support for the eradication of informal payments, there are population groups who favor their existence and this should be taken into account in policy-making.
Reviews of e-Resources
Authors: Mercer Louise
Published: September 2013

Instead of organising a set of book reviews by colleagues for this special issue of the journal, we've decided to present an annotated bibliography of recent e-resources related to the issue of violence in schools. We hope you will enjoy this departure from convention in this issue of the journal.
EDITORIAL
Authors: Murray-Harvey Rosalind , Slee Phillip T.
Published: September 2013

Welcome to the special edition on wellbeing and the prevention of violence in young people. This edition is special in two ways. It is the first edition since the name change of the Australian Guidance and Counselling Association (AGCA) to the new name of Australian Psychologists and Counsellors in Schools (APAC). Second, this edition has been supported by the Flinders Centre for Student Wellbeing & the Prevention of Violence (SWAPv; http://www.flinders.edu.au/ehl/swapv/), which draws together a number of major streams of research being undertaken within Flinders University, situated in Adelaide, South Australia. The Centre also calls upon the expertise of staff members in other parts of the faculty and across the university, in collaboration with national and international researchers and colleagues. The work of the Centre focuses on research that spans the fields of mental health and wellbeing, and violence prevention, primarily in education settings. The Centre is dedicated to making a difference to the wellbeing of young people's lives, focusing on promoting mental health and preventing violence in educational settings. The Centre represents the multiple research, consultancy, professional learning and higher degree research supervision interests of its members, and is broadly inclusive of a rich and varied mix of approaches to undertaking research in the particular fields that provide the foci of the Centre.
‘Made … With Admirable Artistry’: The Context, Manufacture and History of a Taíno Belt
Authors: Ostapkowicz Joanna
Published: September 2013

Vienna's Museum für Völkerkunde holds in its collections a rare sixteenth-century Taíno cotton belt from Hispaniola (today's Dominican Republic/Haiti) – one of only two surviving Taíno cotton artefacts to feature European ‘exotics’, including mirrors, jet beads and brass. This complex woven structure – a wearable work of art – offers a rare window on to one of the most prestigious of Taíno valuables, a personal ornament that literally wrapped the wearer in wealth, status and spiritual power. The paper charts the original context and use of Taíno belts, and provides a detailed account of the Vienna belt's collection history, its construction and its chronological placement (radiocarbon-dated using accelerator mass spectrometry (AMS) toad1475–1635). The question of how and when the European materials were incorporated into the belt is explored, critically engaging the entangled histories of association between the two.
William Stukeley in Stamford: His Houses, Gardens and a Project for a Palladian Triumphal Arch Over Barn Hill
Authors: Smith John F H
Published: September 2013

The part played by William Stukeley in the evolution of English garden design has aroused much interest in recent years, though little research has been carried out into his gardening and architectural activities while resident in Stamford, Lincolnshire, from 1730 to 1747. This was an important period in Stukeley's life and the influence of his archaeological work at Stonehenge and Avebury and his ideas on religion and the early British druids are clearly reflected in his garden designs. Previous work on this period in Stukeley's life has been hampered by imprecision over the various gardens or houses occupied in Stamford by Stukeley. The gardens and his residences are here identified and a mystery concerning his Barn Hill house that has puzzled architectural historians for five decades is solved: what was thought to be a remodelling of the house is here shown to be a scheme for a triumphal arch over the road immediately outside his house.
Updated global distribution of the threatened marine limpetPatella ferruginea(Gastropoda: Patellidae): an example of biodiversity loss in the Mediterranean
Authors: Espinosa Free , Rivera-Ingraham Georgina A. , Maestre Manuel , González Alexandre R. , Bazairi Hocein , García-Gómez José C.
Published: September 2013

Patella ferrugineais the most threatened macroinvertebrate in the western Mediterranean, where it is at serious risk of extinction. There is little information on the status of the various populations and most data were published more than 25 years ago. This study provides updated information on the global status of this species, and implications for management and conservation, and tests the hypothesis that population structure can be influenced by collection by people and by the type of substrate. Fifty-five localities were surveyed in Corsica, Sardinia, Tuscany and Sicily, on the islands of Egadi and Pantelleria, and on the Zembra archipelago and Tunisian coasts. The species is extinct on mainland Italy and Sicily but isolated individuals can be found on Egadi and Pantelleria. Populations on Corsica and Sardinia have declined dramatically during the last 25 years. The population in the Zembra archipelago is well preserved, although more widely on Tunisian coasts the species is highly threatened. The information provided here, combined with information from the literature, indicates a strong decline and/or extinction of many populations throughout the western Mediterranean and the presence of healthy populations only in some locations along the north African coast. The species exhibits an increase in density and mean size in areas free of human pressure but the type of substrate (natural or artificial) has no strong influence.
Airborne Earth Observation Positioning and Orientation by SINS/GPS Integration Using CD R-T-S Smoothing
Authors: Gong Xiaolin , Qin Tingting
Published: September 2013

This paper addresses the issue of state estimation in the integration of a Strapdown Inertial Navigation System (SINS) and Global Positioning System (GPS), which is used for airborne earth observation positioning and orientation. For a nonlinear system, especially with large initial attitude errors, the performance of linear estimation approaches will degrade. In this paper a nonlinear error model based on angle errors is built, and a nonlinear estimation algorithm called the Central Difference Rauch-Tung-Striebel (R-T-S) Smoother (CDRTSS) is utilized in SINS/GPS integration post-processing. In this algorithm, the measurements are first processed by the forward Central Difference Kalman filter (CDKF) and then a separate backward smoothing pass is used to obtain the improved solution. The performance of this algorithm is compared with a similar smoother based on an extended Kalman filter known as ERTSS through Monte Carlo simulations and flight tests with a loaded SINS/GPS integrated system. Furthermore, a digital camera was used to verify the precision of practical applications in a check field with numerous reference points. All these validity checks demonstrate that CDRTSS is a better method and the work of this paper will offer a new approach for SINS/GPS integration for Synthetic Aperture Radar (SAR) and other airborne earth observation tasks.