Core excitation in Ozone localized to one of two symmetry-equivalent chemical bonds - molecular alignment through vibronic coupling

Core excitation from terminal oxygen O$_T$ in O$_3$ is shown to be an excitation from a localized core orbital to a localized valence orbital. The valence orbital is localized to one of the two equivalent chemical bonds. We experimentally demonstrate this with the Auger Doppler effect which is observable when O$_3$ is core-excited to the highly dissociative O$_{T}$1s$^{-1}$7a$_1^1$ state. Auger electrons emitted from the atomic oxygen fragment carry information about the molecular orientation relative to the electromagnetic field vector at the moment of excitation. The data together with analytical functions for the electron-peak profiles give clear evidence that the preferred molecular orientation for excitation only depends on the orientation of one bond, not on the total molecular orientation. The localization of the valence orbital "7a$_1$" is caused by mixing of the valence orbital "5b$_2$" through vibronic coupling of anti-symmetric stretching mode with b$_2$-symmetry. To the best of our knowledge, it is the first discussion of the localization of a core excitation of O$_3$. This result explains the success of the widely used assumption of localized core excitation in adsorbates and large molecules

Vibrational corrections to hyperpolarizabilities of the O3, SO2, N2O and CO2 molecules: A comparison between variational and perturbation methods

AbstractIn this work we reported results of vibrational corrections to the first and second hyperpolarizabilities of the O3, SO2, N2O and CO2 molecules at the CCSD level through the BKPT method of Bishop and Kirtman and also using a variational approximation proposed in a previous work. Comparison between results obtained by both methods shows that the performance of BKPT is different for the systems studied here. Practically the same results are obtained for sulfur dioxide while ozone is the system for which there is greater discrepancy between the results obtained by the two procedures

Avaliação química e biológica da proteína do grão em cultivares de milho de alta qualidade protéica.

Cultivares de milho de alta qualidade protéica (QPM) desenvolvidos pela Embrapa Milho e Sorgo foram avaliados quanto ao conteúdo de aminoácidos essenciais e aproveitamento biológico da proteína, em ratos Wistar machos, recém-desmamados. Sete grupos de seis animais foram mantidos durante dez dias sob condições ambientais padronizadas, recebendo cada grupo uma das seguintes rações: a) controle a 10% e a 7% de proteína (caseína), b) aprotéica, c) experimentais com milho a 7% de proteína (QPM amarelo - BR 473, QPM branco - BR 451 e milho comum - BR 136), d) mistura arroz-feijão a 10% de proteína (1:1 em base protéica). A qualidade protéica do milho BR 473 foi semelhante à do milho BR 451 e significativamente superior (p<O,05) à do milho BR 136, segundo os índices NPR (Net Protein Ratio- 3,37; 3,54 e 2,58, respectivamente para BR 473, BR 451 e BR 136) e NPU (Net Protein Utilization - 56%,58% e 43%, respectivamente). Os milhos QPM possuem valor protéico elevado (média de 83% em relação à proteína de referência), similar ao da mistura arroz-feijão, constituindo-se em alimentos promissores para uso em programas de combate à desnutrição no Brasil, em especial para crianças de baixa renda

CARMENES input catalogue of M dwarfs IV. New rotation periods from photometric time series

Aims. The main goal of this work is to measure rotation periods of the M-type dwarf stars being observed by the CARMENES exoplanet survey to help distinguish radial-velocity signals produced by magnetic activity from those produced by exoplanets. Rotation periods are also fundamental for a detailed study of the relation between activity and rotation in late-type stars. Methods. We look for significant periodic signals in 622 photometric time series of 337 bright, nearby M dwarfs obtained by long-time baseline, automated surveys (MEarth, ASAS, SuperWASP, NSVS, Catalina, ASAS-SN, K2, and HATNet) and for 20 stars which we obtained with four 0.2-0.8 m telescopes at high geographical latitudes. Results. We present 142 rotation periods (73 new) from 0.12 d to 133 d and ten long-term activity cycles (six new) from 3.0 a to 11.5 a. We compare our determinations with those in the existing literature; we investigate the distribution of P rot in the CARMENES input catalogue,the amplitude of photometric variability, and their relation to vsin i and pEW(Halfa); and we identify three very active stars with new rotation periods between 0.34 d and 23.6 d.Comment: 34 pages, 43 figures, 2 appendix table

Investigation of uniform and graded sediment wash-off in an urban drainage system: numerical model validation from a rainfall simulator in an experimental facility

[Abstract:] Understanding sediment wash-off in urban environments plays an essential role in sediment transport management; and is critical for accurate pluvial flood control to assist in adaptation and mitigation strategies. Sediment transport models have been researched previously, though challenges still arise due to the complicated nature of graded sediment transport. This study tested the accuracy of the van Rijn model using a sparse distribution of particle sizes using the geometric mean. As such, this study used high-resolution datasets collected in a water laboratory to investigate sediment wash-off and transport on an urban street. This included the interaction of two gully pots receiving sediment loads that were washed off from a hypothetical urban surface by three rainfall intensities. The results showed that the model was able to simulate uniform sediments entering the gully pots accurately when the sediment size was assigned to a median diameter. Using the grain diameter to represent the geometric mean can improve the model performance for simulating a graded sediment.EPSRC Centre for Doctoral Training in Water Informatics Science and Engineering, WISE CDT; EP/L016214/1The work presented in this paper was carried out as part of PhD research and was supported by the EPSRC Centre for Doctoral Training in Water Informatics Science and Engineering (WISE CDT; EP/L016214/1). The experimental part and data collection received funding from the Spanish Ministry of Science, Innovation and Universities under POREDRAIN project RTI2018-094217-B-C33 (MINECO/FEDER-EU). The authors would also like to thank the Danish Hydraulic Institute for supplying the academic license for the MIKE 21 model

Optical and near-infrared observations of SN 2011dh - The first 100 days

We present optical and near-infrared (NIR) photometry and spectroscopy of the Type IIb supernova (SN) 2011dh for the first 100 days. We complement our extensive dataset with SWIFT ultra-violet (UV) and Spitzer mid-infrared (MIR) data to build a UV to MIR bolometric lightcurve using both photometric and spectroscopic data. Hydrodynamical modelling of the SN based on this bolometric lightcurve have been presented in Bersten (2012). We find that the absorption minimum for the hydrogen lines is never seen below ~11000 km/s but approaches this value as the lines get weaker. This suggests that the interface between the helium core and hydrogen rich envelope is located near this velocity in agreement with the Bersten et al. (2012) He4R270 ejecta model. Spectral modelling of the hydrogen lines using this ejecta model supports the conclusion and we find a hydrogen mass of 0.01-0.04 solar masses to be consistent with the observed spectral evolution. We estimate that the photosphere reaches the helium core at 5-7 days whereas the helium lines appear between ~10 and ~15 days, close to the photosphere and then move outward in velocity until ~40 days. This suggests that increasing non-thermal excitation due to decreasing optical depth for the gamma-rays is driving the early evolution of these lines. We also provide and discuss pre- and post-explosion observations of the SN site which shows a reduction by 75 percent in flux at the position of the yellow supergiant coincident with SN 2011dh. The B, V and r band decline rates of 0.0073, 0.0090 and 0.0053 mag/day respectively are consistent with the remaining flux being emitted by the SN. Hence we find that the star was indeed the progenitor of SN 2011dh as previously suggested by Maund et al. (2011) and which is also consistent with the results from the hydrodynamical modelling.Comment: 38 pages, 27 figures, 18 tables, accepted for publication by A&

Efeito do sistema de cultivo e do meio de cultura sobre o crescimento de calos embriogênicos de cafeeiro.

Neste trabalho comparou-se a produção de calos embriogênicos em meio líquido com a de meio gelificado usando-se dois meios de cultura recomendados para café arábica: CP (van Boxtel & Berthouly, 1996) e SM (Teixeira et al. 2004

Radio and optical intra-day variability observations of five blazars

We carried out a pilot campaign of radio and optical band intra-day variability (IDV) observations of five blazars (3C66A, S5 0716+714, OJ287, B0925+504, and BL Lacertae) on December 18--21, 2015 by using the radio telescope in Effelsberg (Germany) and several optical telescopes in Asia, Europe, and America. After calibration, the light curves from both 5 GHz radio band and the optical R band were obtained, although the data were not smoothly sampled over the sampling period of about four days. We tentatively analyse the amplitudes and time scales of the variabilities, and any possible periodicity. The blazars vary significantly in the radio (except 3C66A and BL Lacertae with only marginal variations) and optical bands on intra- and inter-day time scales, and the source B0925+504 exhibits a strong quasi-periodic radio variability. No significant correlation between the radio- and optical-band variability appears in the five sources, which we attribute to the radio IDV being dominated by interstellar scintillation whereas the optical variability comes from the source itself. However, the radio- and optical-band variations appear to be weakly correlated in some sources and should be investigated based on well-sampled data from future observations.Comment: 6 pages, 6 figures, accepted by MNRA