Optical absorption spectra in fullerenes C60 and C70: Effects of Coulomb interactions, lattice fluctuations, and anisotropy

Effects of Coulomb interactions and lattice fluctuations in the optical absorption spectra of C60 and C70 are theoretically investigated by using a tight binding model with long-range Coulomb interaction and bond disorder. Anisotropy effects in C70 are also considered. Optical spectra are calculated by using the Hartree-Fock approximation followed by the configuration interaction method. The main conclusions are as follows: (1) The broad peaks at excitation energies, 3.7eV, 4.7eV, and 5.7eV, observed in experiments of C60 molecules in a solution are reasonably described by the present theory. Peak positions and relative oscillator strengths are in overall agreement with the experiments. The broadening of peaks by lattice fluctuations is well simulated by the bond disorder model. (2) The optical gap of C70 is larger when the electric field of light is parallel to the long axis of the molecule. The shape of the frequency dispersion also depends on the orientation of the molecule. These properties are common in the free electron model and the model with Coulomb interactions. (3) The spectrum of C70 averaged over bond disorder and random orientations is compared with experiments in a solution. There is an overall agreement about the spectral shape. Differences in the spectra of C60 and C70 are discussed in connection with the symmetry reduction from a soccerball to a rugbyball.Comment: PACS numbers: 78.66.Qn, 78.20.Dj, 71.35.+z, 31.20.Tz; LaTeX, 15 pages, 5 figures (Physical Review B); Note: Please request figures to Authors. They will be sent via snail mai

Dynamic MAIT cell response with progressively enhanced innateness during acute HIV-1 infection.

Mucosa-associated invariant T (MAIT) cell loss in chronic HIV-1 infection is a significant insult to antimicrobial immune defenses. Here we investigate the response of MAIT cells during acute HIV-1 infection utilizing the RV217 cohort with paired longitudinal pre- and post-infection samples. MAIT cells are activated and expand in blood and mucosa coincident with peak HIV-1 viremia, in a manner associated with emerging microbial translocation. This is followed by a phase with elevated function as viral replication is controlled to a set-point level, and later by their functional decline at the onset of chronic infection. Interestingly, enhanced innate-like pathways and characteristics develop progressively in MAIT cells during infection, in parallel with TCR repertoire alterations. These findings delineate the dynamic MAIT cell response to acute HIV-1 infection, and show how the MAIT compartment initially responds and expands with enhanced function, followed by progressive reprogramming away from TCR-dependent antibacterial responses towards innate-like functionality

Observation and Assignment of Silent and Higher Order Vibrations in the Infrared Transmission of C60 Crystals

We report the measurement of infrared transmission of large C60 single crystals. The spectra exhibit a very rich structure with over 180 vibrational absorptions visible in the 100 - 4000 cm-1 range. Many silent modes are observed to have become weakly IR-active. We also observe a large number of higher order combination modes. The temperature (77K - 300K) and pressure (0 - 25KBar) dependencies of these modes were measured and are presented. Careful analysis of the IR spectra in conjunction with Raman scattering data showing second order modes and neutron scattering data, allow the selection of the 46 vibrational modes C60. We are able to fit *all* of the first and second order data seen in the present IR spectra and the previously published Raman data (~300 lines total), using these 46 modes and their group theory allowed second order combinations.Comment: REVTEX v3.0 in LaTeX. 12 pages. 8 Figures by request. c60lon

The heterogeneity of wooded-agricultural landscape mosaics influences woodland bird community assemblages

Context Landscape heterogeneity (the composition and configuration of different landcover types) plays a key role in shaping woodland bird assemblages in wooded-agricultural mosaics. Understanding how species respond to landscape factors could contribute to preventing further decline of woodland bird populations. Objective To investigate how woodland birds with different species traits respond to landscape heterogeneity, and to identify whether specific landcover types are important for maintaining diverse populations in wooded-agricultural environments. Methods Birds were sampled from woodlands in 58 2 x 2 km tetrads across southern Britain. Landscape heterogeneity was quantified for each tetrad. Bird assemblage response was determined using redundancy analysis combined with variation partitioning and response trait analyses. Results For woodland bird assemblages, the independent explanatory importance of landscape composition and landscape configuration variables were closely interrelated. When considered simultaneously during variation partitioning, the community response was better represented by compositional variables. Different species responded to different landscape features and this could be explained by traits relating to woodland association, foraging strata and nest location. Ubiquitous, generalist species, many of which were hole-nesters or ground foragers, correlated positively with urban landcover while specialists of broadleaved woodland avoided landscapes containing urban areas. Species typical of coniferous woodland correlated with large conifer plantations. Conclusions At the 2 x 2 km scale, there was evidence that the availability of resources provided by proximate landcover types was highly important for shaping woodland bird assemblages. Further research to disentangle the effects of composition and configuration at different spatial scales is advocated