Electron spin coherence in metallofullerenes: Y, Sc and La@C82

Endohedral fullerenes encapsulating a spin-active atom or ion within a carbon cage offer a route to self-assembled arrays such as spin chains. In the case of metallofullerenes the charge transfer between the atom and the fullerene cage has been thought to limit the electron spin phase coherence time (T2) to the order of a few microseconds. We study electron spin relaxation in several species of metallofullerene as a function of temperature and solvent environment, yielding a maximum T2 in deuterated o-terphenyl greater than 200 microseconds for Y, Sc and La@C82. The mechanisms governing relaxation (T1, T2) arise from metal-cage vibrational modes, spin-orbit coupling and the nuclear spin environment. The T2 times are over 2 orders of magnitude longer than previously reported and consequently make metallofullerenes of interest in areas such as spin-labelling, spintronics and quantum computing.Comment: 5 pages, 4 figure

Diverging land-use projections cause large variability in their impacts on ecosystems and related indicators for ecosystem services

Land-use models and integrated assessment models provide scenarios of land-use and land-cover (LULC) changes following pathways or storylines related to different socioeconomic and environmental developments. The large diversity of available scenario projections leads to a recognizable variability in impacts on land ecosystems and the levels of services provided. We evaluated 16 projections of future LULC until 2040 that reflected different assumptions regarding socioeconomic demands and modeling protocols. By using these LULC projections in a state-of-the-art dynamic global vegetation model, we simulated their effect on selected ecosystem service indicators related to ecosystem productivity and carbon sequestration potential, agricultural production and the water cycle. We found that although a common trend for agricultural expansion exists across the scenarios, where and how particular LULC changes are realized differs widely across models and scenarios. They are linked to model-specific considerations of some demands over others and their respective translation into LULC changes and also reflect the simplified or missing representation of processes related to land dynamics or other influencing factors (e.g., trade, climate change). As a result, some scenarios show questionable and possibly unrealistic features in their LULC allocations, including highly regionalized LULC changes with rates of conversion that are contrary to or exceed rates observed in the past. Across the diverging LULC projections, we identified positive global trends of net primary productivity (+10.2 % ± 1.4 %), vegetation carbon (+9.2 % ± 4.1 %), crop production (+31.2 % ± 12.2 %) and water runoff (+9.3 % ± 1.7 %), and a negative trend of soil and litter carbon stocks (−0.5 % ± 0.4 %). The variability in ecosystem service indicators across scenarios was especially high for vegetation carbon stocks and crop production. Regionally, variability was highest in tropical forest regions, especially at current forest boundaries, because of intense and strongly diverging LULC change projections in combination with high vegetation productivity dampening or amplifying the effects of climatic change. Our results emphasize that information on future changes in ecosystem functioning and the related ecosystem service indicators should be seen in light of the variability originating from diverging projections of LULC. This is necessary to allow for adequate policy support towards sustainable transformations

The dynamics of audience applause

The study of social identity and crowd psychology looks at how and why individual people change their behaviour in response to others. Within a group, a new behaviour can emerge first in a few individuals before it spreads rapidly to all other members. A number of mathematical models have been hypothesized to describe these social contagion phenomena, but these models remain largely untested against empirical data. We used Bayesian model selection to test between various hypotheses about the spread of a simple social behaviour, applause after an academic presentation. Individuals' probability of starting clapping increased in proportion to the number of other audience members already ‘infected’ by this social contagion, regardless of their spatial proximity. The cessation of applause is similarly socially mediated, but is to a lesser degree controlled by the reluctance of individuals to clap too many times. We also found consistent differences between individuals in their willingness to start and stop clapping. The social contagion model arising from our analysis predicts that the time the audience spends clapping can vary considerably, even in the absence of any differences in the quality of the presentations they have heard

Continuum Halos in Nearby Galaxies -- an EVLA Survey (CHANG-ES) -- II: First Results on NGC 4631

We present the first results from the CHANG-ES survey, a new survey of 35 edge-on galaxies to search for both in-disk as well as extra-planar radio continuum emission. The motivation and science case for the survey are presented in a companion paper (Paper I). In this paper (Paper II), we outline the observations and data reduction steps required for wide-band calibration and mapping of EVLA data, including polarization, based on C-array test observations of NGC 4631. With modest on-source observing times (30 minutes at 1.5 GHz and 75 minutes at 6 GHz for the test data) we have achieved best rms noise levels of 22 and 3.5 $\mu$Jy beam$^{-1}$ at 1.5 GHz and 6 GHz, respectively. New disk-halo features have been detected, among them two at 1.5 GHz that appear as loops in projection. We present the first 1.5 GHz spectral index map of NGC 4631 to be formed from a single wide-band observation in a single array configuration. This map represents tangent slopes to the intensities within the band centered at 1.5 GHz, rather than fits across widely separated frequencies as has been done in the past and is also the highest spatial resolution spectral index map yet presented for this galaxy. The average spectral index in the disk is $\bar\alpha_{1.5 GHz}\,=\,-0.84\,\pm\,0.05$ indicating that the emission is largely non-thermal, but a small global thermal contribution is sufficient to explain a positive curvature term in the spectral index over the band. Two specific star forming regions have spectral indices that are consistent with thermal emission. Polarization results (uncorrected for internal Faraday rotation) are consistent with previous observations and also reveal some new features. On broad scales, we find strong support for the notion that magnetic fields constrain the X-ray emitting hot gas.Comment: Accepted to the Astronomical Journal, Version 2 changes: Added acknowledgement to NRA

Continuum Halos in Nearby Galaxies -- an EVLA Survey (CHANG-ES) -- I: Introduction to the Survey

We introduce a new survey to map the radio continuum halos of a sample of 35 edge-on spiral galaxies at 1.5 GHz and 6 GHz in all polarization products. The survey is exploiting the new wide bandwidth capabilities of the Karl G. Jansky Very Large Array (i.e. the Expanded Very Large Array, or EVLA) in a variety of array configurations (B, C, and D) in order to compile the most comprehensive data set yet obtained for the study of radio halo properties. This is the first survey of radio halos to include all polarization products. In this first paper, we outline the scientific motivation of the survey, the specific science goals, and the expected improvements in noise levels and spatial coverage from the survey. Our goals include investigating the physical conditions and origin of halos, characterizing cosmic ray transport and wind speed, measuring Faraday rotation and mapping the magnetic field, probing the in-disk and extraplanar far-infrared - radio continuum relation, and reconciling non-thermal radio emission with high-energy gamma-ray models. The sample size allows us to search for correlations between radio halos and other properties, including environment, star formation rate, and the presence of AGNs. In a companion paper (Paper II) we outline the data reduction steps and present the first results of the survey for the galaxy, NGC 4631.Comment: 17 pages, 1 figure, accepted to the Astronomical Journal, Version 2 changes: added acknowledgement to NRA

Detection of Mycoplasma pneumoniae in Simulated and True Clinical Throat Swab Specimens by Nanorod Array-Surface-Enhanced Raman Spectroscopy

The prokaryote Mycoplasma pneumoniae is a major cause of respiratory disease in humans, accounting for 20% of all community-acquired pneumonia and the leading cause of pneumonia in older children and young adults. The limitations of existing options for mycoplasma diagnosis highlight a critical need for a new detection platform with high sensitivity, specificity, and expediency. Here we evaluated silver nanorod arrays (NA) as a biosensing platform for detection and differentiation of M. pneumoniae in culture and in spiked and true clinical throat swab samples by surface-enhanced Raman spectroscopy (SERS). Three M. pneumoniae strains were reproducibly differentiated by NA-SERS with 95%–100% specificity and 94–100% sensitivity, and with a lower detection limit exceeding standard PCR. Analysis of throat swab samples spiked with M. pneumoniae yielded detection in a complex, clinically relevant background with >90% accuracy and high sensitivity. In addition, NA-SERS correctly classified with >97% accuracy, ten true clinical throat swab samples previously established by real-time PCR and culture to be positive or negative for M. pneumoniae. Our findings suggest that the unique biochemical specificity of Raman spectroscopy, combined with reproducible spectral enhancement by silver NA, holds great promise as a superior platform for rapid and sensitive detection and identification of M. pneumoniae, with potential for point-of-care application

Infrared spectroscopy of diatomic molecules - a fractional calculus approach

The eigenvalue spectrum of the fractional quantum harmonic oscillator is calculated numerically solving the fractional Schr\"odinger equation based on the Riemann and Caputo definition of a fractional derivative. The fractional approach allows a smooth transition between vibrational and rotational type spectra, which is shown to be an appropriate tool to analyze IR spectra of diatomic molecules.Comment: revised + extended version, 9 pages, 6 figure

CHANG-ES XI: Circular Polarization in the Cores of Nearby Galaxies

We detect 5 galaxies in the CHANG-ES (Continuum Halos in Nearby Galaxies -- an EVLA Survey) sample that show circular polarization (CP) at L-band in our high resolution data sets. Two of the galaxies (NGC~4388 and NGC~4845) show strong Stokes $V/I\,\equiv\,m_C\,\sim\,2$\%, two (NGC~660 and NGC~3628) have values of $m_C\sim \,0.3$\%, and NGC~3079 is a marginal detection at $m_C\sim \,0.2$\%. The two strongest $m_C$ galaxies also have the most luminous X-ray cores and the strongest internal absorption in X-rays. We have expanded on our previous Faraday conversion interpretation and analysis and provide analytical expressions for the expected $V$ signal for a general case in which the cosmic ray electron energy spectral index can take on any value. We provide examples as to how such expressions could be used to estimate magnetic field strengths and the lower energy cutoff for CR electrons. Four out of our detections are {\it resolved}, showing unique structures, including a {\it jet} in NGC~4388 and a CP `conversion disk' in NGC~4845. The conversion disk is inclined to the galactic disk but is perpendicular to a possible outflow direction. Such CP structures have never before been seen in any galaxy to our knowledge. None of the galaxy cores show linear polarization at L-band. Thus CP may provide a unique probe of physical conditions deep into radio AGNs.Comment: 30 pages, 4 figures, accepted to MNRA

Open access and open source in chemistry

Scientific data are being generated and shared at ever-increasing rates. Two new mechanisms for doing this have developed: open access publishing and open source research. We discuss both, with recent examples, highlighting the differences between the two, and the strengths of both