Structure and electronic properties of molybdenum monoatomic wires encapsulated in carbon nanotubes

Monoatomic chains of molybdenum encapsulated in single walled carbon nanotubes of different chiralities are investigated using density functional theory. We determine the optimal size of the carbon nanotube for encapsulating a single atomic wire, as well as the most stable atomic arrangement adopted by the wire. We also study the transport properties in the ballistic regime by computing the transmission coefficients and tracing them back to electronic conduction channels of the wire and the host. We predict that carbon nanotubes of appropriate radii encapsulating a Mo wire have metallic behavior, even if both the nanotube and the wire are insulators. Therefore, encapsulating Mo wires in CNT is a way to create conductive quasi one-dimensional hybrid nanostructures.Comment: 8 pages, 10 figure

Impact of dimerization and stretching on the transport properties of molybdenum atomic wires

We study the electrical and transport properties of monoatomic Mo wires with different structural characteristics. We consider first periodic wires with inter-atomic distances ranging between the dimerized wire to that formed by equidistant atoms. We find that the dimerized case has a gap in the electronic structure which makes it insulating, as opposed to the equidistant or near-equidistant cases which are metallic. We also simulate two conducting one-dimensional Mo electrodes separated by a scattering region which contains a number of dimers between 1 and 6. The $I-V$ characteristics strongly depend on the number of dimers and vary from ohmic to tunneling, with the presence of different gaps. We also find that stretched chains are ferromagnetic.Comment: 8 pages, 7 figure

Genetic relationships within and among Iberian fescues (Festuca L.) based on PCR-amplified markers

The genus Festuca comprises approximately 450 species and is widely distributed around the world. The Iberian Penninsula, with more than 100 taxa colonizing very diverse habitats, is one of its main centers of diversification. This study was conducted to assess molecular genetic variation and genetic relatedness among 91 populations of 31 taxa of Iberian fescues, based on several molecular markers (random amplified polymorphic DNA, amplified fragment length polymorphisms, and trnL sequences). The analyses showed the paraphyletic origin of the broad-leaved (subgenus Festuca, sections Scariosae and Subbulbosae, and subgenus Schedonorus) and the fine-leaved fescues (subgenus Festuca, sections Aulaxyper, Eskia, and Festuca). Schedonorus showed a weak relationship with Lolium rigidum and appeared to be the most recent of the broad-leaved clade. Section Eskia was the most ancient and Festuca the most recent of the fine-leaved clade. Festuca and Aulaxyper were the most related sections, in concordance with their taxonomic affinities. All taxa grouped into their sections, except F. ampla and F. capillifolia (section Festuca), which appeared to be more closely related to Aulaxyper and to a new independent section, respectively. Most populations clustered at the species level, but some subspecies and varieties mixed their populations. This study demonstrated the value in combining different molecular markers to uncover hidden genetic relationships between populations of Festuca

Improved determination of the 1(0)-0(0) rotational frequency of NH3D+ from the high resolution spectrum of the v4 infrared band

The high resolution spectrum of the v4 band of NH3D+ has been measured by difference frequency IR laser spectroscopy in a multipass hollow cathode discharge cell. From the set of molecular constants obtained from the analysis of the spectrum, a value of 262817(6) MHz (3sigma) has been derived for the frequency of the 1(0)-0(0) rotational transition. This value supports the assignment to NH3D+ of lines at 262816.7 MHz recorded in radio astronomy observations in Orion-IRc2 and the cold prestellar core B1-bS.Comment: Accepted for publication in the Astrophysical Journal Letters 04 June 201

Temperatures of dust and gas in S~140

In dense parts of interstellar clouds (> 10^5 cm^-3), dust & gas are expected to be in thermal equilibrium, being coupled via collisions. However, previous studies have shown that the temperatures of the dust & gas may remain decoupled even at higher densities. We study in detail the temperatures of dust & gas in the photon-dominated region S 140, especially around the deeply embedded infrared sources IRS 1-3 and at the ionization front. We derive the dust temperature and column density by combining Herschel PACS continuum observations with SOFIA observations at 37 $\mu$m and SCUBA at 450 $\mu$m. We model these observations using greybody fits and the DUSTY radiative transfer code. For the gas part we use RADEX to model the CO 1-0, CO 2-1, 13CO 1-0 and C18O 1-0 emission lines mapped with the IRAM-30m over a 4' field. Around IRS 1-3, we use HIFI observations of single-points and cuts in CO 9-8, 13CO 10-9 and C18O 9-8 to constrain the amount of warm gas, using the best fitting dust model derived with DUSTY as input to the non-local radiative transfer model RATRAN. We find that the gas temperature around the infrared sources varies between 35 and 55K and that the gas is systematically warmer than the dust by ~5-15K despite the high gas density. In addition we observe an increase of the gas temperature from 30-35K in the surrounding up to 40-45K towards the ionization front, most likely due to the UV radiation from the external star. Furthermore, detailed models of the temperature structure close to IRS 1 show that the gas is warmer and/or denser than what we model. Finally, modelling of the dust emission from the sub-mm peak SMM 1 constrains its luminosity to a few ~10^2 Lo. We conclude that the gas heating in the S 140 region is very efficient even at high densities, most likely due to the deep UV penetration from the embedded sources in a clumpy medium and/or oblique shocks.Comment: 15 pages, 23 figures, 4 tables, accepted for publication in A&

The dusty disk around VV Ser

We have carried out observations at millimeter and centimeter wavelengths towards VV Ser using the Plateau de Bure Interferometer and the Very Large Array. This allows us to compute the SED from near infrared to centimeter wavelengths. The modeling of the full SED has provided insight into the dust properties and a more accurate value of the disk mass. The mass of dust in the disk around VV Ser is found to be about 4 10^(-5) Msun, i.e. 400 times larger than previous estimates. Moreoever, the SED can only be accounted for assuming dust stratification in the vertical direction across the disk. The existence of small grains (0.25--1 micron) in the disk surface is required to explain the emission at near- and mid-infrared wavelengths. The fluxes measured at millimeter wavelengths imply that the dust grains in the midplane have grown up to very large sizes, at least to some centimeters.Comment: To appear in Ap

Spectral line survey of the ultracompact HII region Mon R2

Ultracompact (UC) HII regions constitute one of the earliest phases in the formation of a massive star and are characterized by extreme physical conditions (Go>10^5 Habing field and n>10^6 cm^-3). The UC HII Mon R2 is the closest one and therefore an excellent target to study the chemistry in these complex regions. We carried out a 3mm and 1mm spectral survey using the IRAM 30-m telescope towards three positions that represent different physical environments in Mon R2: (i) the ionization front (IF) at (0",0"); two peaks in the molecular cloud (ii) MP1 at the offset (+15",-15") and (iii) MP2 at the farther offset (0",40"). In addition, we carried out extensive modeling to explain the chemical differences between the three observed regions. We detected more than thirty different species. We detected SO+ and C4H suggesting that UV radiation plays an important role in the molecular chemistry of this region. We detected the typical PDR molecules CN, HCN, HCO, C2H, and c-C3H2. While the IF and the MP1 have a chemistry similar to that found in high UV field and dense PDRs like the Orion Bar, the MP2 is more similar to lower UV/density PDRs like the Horsehead nebula. We also detected complex molecules that are not usually found in PDRs (CH3CN, H2CO, HC3N, CH3OH and CH3C2H). Sulfur compounds CS, HCS+, C2S, H2CS, SO and SO2 and the deuterated species DCN and C2D were also identified. [DCN]/[HCN]=0.03 and [C2D]/[C2H]=0.05, are among the highest in warm regions. Our results show that the high UV/dense PDRs present a different chemistry from that of the low UV case. Abundance ratios like [CO+]/[HCO+] or [HCO]/[HCO+] are good diagnostics to differentiate between them. In Mon R2 we have the two classes of PDRs, a high UV PDR towards the IF and the adjacent molecular bar and a low-UV PDR which extends towards the north-west following the border of the cloud.Comment: 31 page

NG7538 IRS1 N: modeling a circumstellar maser disk

We present an edge-on Keplerian disk model to explain the main component of the 12.2 and 6.7 GHz methanol maser emission detected toward NGC7538-IRS1 N. The brightness distribution and spectrum of the line of bright masers are successfully modeled with high amplification of background radio continuum emission along velocity coherent paths through a maser disk. The bend seen in the position-velocity diagram is a characteristic signature of differentially rotating disks. For a central mass of 30 solar masses, suggested by other observations, our model fixes the masing disk to have inner and outer radii of about 270 AU and 750 AU.Comment: To appear in The Proceedings of the 2004 European Workshop: "Dense Molecular Gas around Protostars and in Galatic Nuclei", Eds. Y. Hagiwara, W.A. Baan, H.J. van Langevelde, 2004, a special issue of ApSS, Kluwe

RNA quantification using gold nanoprobes - application to cancer diagnostics

Molecular nanodiagnostics applied to cancer may provide rapid and sensitive detection of cancer related molecular alterations, which would enable early detection even when those alterations occur only in a small percentage of cells. The use of gold nanoparticles derivatized with thiol modified oligonucleotides (Au-nanoprobes) for the detection of specific nucleic acid targets has been gaining momentum as an alternative to more traditional methodologies. Here, we present an Au-nanoparticles based approach for the molecular recognition and quantification of the BCR-ABL fusion transcript (mRNA), which is responsible for chronic myeloid leukemia (CML), and to the best of our knowledge it is the first time quantification of a specific mRNA directly in cancer cells is reported. This inexpensive and very easy to perform Au-nanoprobe based method allows quantification of unamplified total human RNA and specific detection of the oncogene transcript. The sensitivity settled by the Au-nanoprobes allows differential gene expression from 10 ng/μl of total RNA and takes less than 30 min to complete after total RNA extraction, minimizing RNA degradation. Also, at later stages, accumulation of malignant mutations may lead to resistance to chemotherapy and consequently poor outcome. Such a method, allowing for fast and direct detection and quantification of the chimeric BCR-ABL mRNA, could speed up diagnostics and, if appropriate, revision of therapy. This assay may constitute a promising tool in early diagnosis of CML and could easily be extended to further target genes with proven involvement in cancer development

Detection of the Ammonium Ion in Space

We report on the detection of a narrow feature at 262816.73 MHz towards Orion and the cold prestellar core B1-bS, that we attribute to the 1(0)-0(0) line of the deuterated Ammonium ion, NH3D+. The observations were performed with the IRAM 30m radio telescope. The carrier has to be a light molecular species as it is the only feature detected over 3.6 GHz of bandwidth. The hyperfine structure is not resolved indicating a very low value for the electric quadrupolar coupling constant of Nitrogen which is expected for NH3D+ as the electric field over the N nucleus is practically zero. Moreover, the feature is right at the predicted frequency for the 1(0)-0(0) transition of the Ammonium ion, 262817(6) MHz (3sigma), using rotational constants derived from new infrared data obtained in our laboratory in Madrid. The estimated column density is 1.1(0.2)e12 cm-2. Assuming a deuterium enhancement similar to that of NH2D, we derive N(NH4+) sim 2.6e13 cm-2, i.e., an abundance for Ammonium of a few 1e(-11).Comment: Accepted for publication in the Astrophysical Journal Letters 04 June 201