Intriguing C–H⋯Cu interactions in bis-(phenanthroline)Cu(I) redox mediators for dye-sensitized solar cells

We have synthesized and characterized a series of bis-(phenanthroline) Cu(I) complexes of interest as redox mediators for dye-sensitized solar cells. This study led to the discovery of intriguing anagostic interactions between the hydrogen atom and the copper center as evidenced by X-ray diffraction studies on a single crystal. Remarkably, an anagostic interaction was found between a H atom of a methyl group and a copper sit

Measurement-induced Squeezing of a Bose-Einstein Condensate

We discuss the dynamics of a Bose-Einstein condensate during its nondestructive imaging. A generalized Lindblad superoperator in the condensate master equation is used to include the effect of the measurement. A continuous imaging with a sufficiently high laser intensity progressively drives the quantum state of the condensate into number squeezed states. Observable consequences of such a measurement-induced squeezing are discussed.Comment: 4 pages, 2 figures, submitted to PR

Evidence that a salt bridge in the light chain contributes to the physical stability difference between heavy and light human ferritins.

Human ferritin, a multimeric iron storage protein, is composed by various proportions of two subunit types: the H- and L-chains. The biological functions of these two genic products have not been clarified, although differences in reactivity with iron have been shown. Starting from the hypothesis that the high stability typical of ferritin is an important property which may be relevant for its iron storage function, we studied ferritin homopolymers of H- and L-chains in different denaturing conditions. In addition we analyzed 13 H-chain variants with alterations in regions conserved within mammalian H-chains. In all the denaturation experiments H-chain ferritin showed lower stability than L-chain ferritin. The difference was greater in guanidine HCl denaturation experiments, where the end products are fully unfolded peptides, than in acidic denaturation experiments, where the end products are peptides with properties analogous to "molten globule." The study on H-chain variants showed: (i) ferritin stability was not affected by alterations of regions exposed to the inner or outer surface of the shell and not involved in intra- or inter-chain interactions; (ii) stability was reduced by alterations of sequences involved in inter-subunit interactions such as the deletion of the N-terminal extension or substitutions along the hydrophobic and hydrophilic channels; (iii) stability was increased by the substitution of 2 amino acids inside the four-helix bundle with those of the homologous L-chain. One of the residues is involved in a salt bridge in the L-chain, and we concluded that the stability difference between H- and L-ferritins is to a large extent due to the stabilizing effect of this salt bridge on the L-subunit fold

Constraining spacetime torsion with LAGEOS

We compute the corrections to the orbital Lense-Thirring effect (or frame-dragging) in the presence of spacetime torsion. We derive the equations of motion of a test body in the gravitational field of a rotating axisymmetric massive body, using the parametrized framework of Mao, Tegmark, Guth and Cabi. We calculate the secular variations of the longitudes of the node and of the pericenter. We also show how the LAser GEOdynamics Satellites (LAGEOS) can be used to constrain torsion parameters. We report the experimental constraints obtained using both the nodes and perigee measurements of the orbital Lense-Thirring effect. This makes LAGEOS and Gravity Probe B (GPB) complementary frame-dragging and torsion experiments, since they constrain three different combinations of torsion parameters

Radial asymptotics of Lemaitre-Tolman-Bondi dust models

We examine the radial asymptotic behavior of spherically symmetric Lemaitre-Tolman-Bondi dust models by looking at their covariant scalars along radial rays, which are spacelike geodesics parametrized by proper length $\ell$, orthogonal to the 4-velocity and to the orbits of SO(3). By introducing quasi-local scalars defined as integral functions along the rays, we obtain a complete and covariant representation of the models, leading to an initial value parametrization in which all scalars can be given by scaling laws depending on two metric scale factors and two basic initial value functions. Considering regular "open" LTB models whose space slices allow for a diverging $\ell$, we provide the conditions on the radial coordinate so that its asymptotic limit corresponds to the limit as $\ell\to\infty$. The "asymptotic state" is then defined as this limit, together with asymptotic series expansion around it, evaluated for all metric functions, covariant scalars (local and quasi-local) and their fluctuations. By looking at different sets of initial conditions, we examine and classify the asymptotic states of parabolic, hyperbolic and open elliptic models admitting a symmetry center. We show that in the radial direction the models can be asymptotic to any one of the following spacetimes: FLRW dust cosmologies with zero or negative spatial curvature, sections of Minkowski flat space (including Milne's space), sections of the Schwarzschild--Kruskal manifold or self--similar dust solutions.Comment: 44 pages (including a long appendix), 3 figures, IOP LaTeX style. Typos corrected and an important reference added. Accepted for publication in General Relativity and Gravitatio

Incidência do míldio em cebola sob adubação mineral e orgânica.

Analisou-se a relação entre adubação mineral e orgânica sobre a incidência de míldio (Peronospora destructor) em cebola (Allium cepa). O trabalho constituiu-se de dois experimentos localizados em Ituporanga, conduzidos entre agosto e dezembro de 1998. O experimento 1, com fontes orgânicas, constou dos tratamentos: esterco de suínos, esterco de aves, composto, esterco de peru e húmus, na dosagem de 75 kg/ha de N; esterco de suínos, na dosagem de 37,5 kg/ha de N; adubação mineral, 30-120-60 kg/ha de N-P2O5-K2O; 60-240-120 kg/ha de N-P2O5-K2O e testemunha sem adubação. O experimento 2 constou dos tratamentos: fontes minerais, 30-120-60 kg/ha de N-P2O5-K2O; 90-360-180 kg/ha de N-P2O5-K2O; 75 kg/ha de N; 225 kg/ha de N; 80 kg/ha de P2O5; 240 kg/ha de P2O5; 60 kg/ha de K2O; 180 kg/ha de K2O; esterco de suínos + fosfato natural, em três combinações, 7,9+0,1, 15,7+0,2 e 47,2+0,6 t/ha, respectivamente; testemunha sem adubação. Não houve diferença entre as fontes mineral e orgânica sobre a incidência de míldio. A relação entre nutrientes e doença foi variável entre datas de amostragem e distinta para fontes minerais e orgânicas

A proposed methodology for the correction of the Leaf Area Index measured with a ceptometer for pinus and eucalyptus forests = Proposta de uma methodologia para a correcao do indice de area foliar medido pelo ceptometro em provoamentos de pinus e eucalyptus

Leaf area index (LAI) is an important parameter controlling many biological and physiological processes associated with vegetation on the Earth's surface, such as photosynthesis, respiration, transpiration, carbon and nutrient cycle and rainfall interception. LAI can be measured indirectly by sunfleck ceptometers in an easy and non-destructive way but this practical methodology tends to underestimated when measured by these instruments. Trying to correct this underestimation, some previous studies heave proposed the multiplication of the observed LAI value by a constant correction factor. The assumption of this work is LAI obtained from the allometric equations are not so problematic and can be used as a reference LAI to develop a new methodology to correct the ceptometer one. This new methodology indicates that the bias (the difference between the ceptometer and the reference LAI) is estimated as a function of the basal area per unit ground area and that bias is summed to the measured value. This study has proved that while the measured Pinus LAI needs a correction, there is no need for that correction for the Eucalyptus LAI. However, even for this last specie the proposed methodology gives closer estimations to the real LAI values

Produção e valor nutritivo da forragem de capim-elefante em dois sistemas de produção.

Esta pesquisa foi realizada com o objetivo de avaliar a produção e o valor nutritivo da forragem de capimelefante cultivado em sistemas convencional e agroecológico. No sistema convencional, o capim-elefante foi estabelecido em cultivo exclusivo, em linhas com espaçamento de 1,4 m e, no sistema agroecológico, em linhas afastadas 3 m. Nas entrelinhas, estabeleceu-se azevém no período hibernal para desenvolvimento de espécies de crescimento espontâneo no período estival. Avaliaram-se a massa, a produção e a composição botânica e estrutural da forragem e a carga animal. Amostras de simulação de pastejo foram coletadas para determinação dos teores de proteína bruta e fibra em detergente neutro e da digestibilidade in vitro da matéria seca e matéria orgânica. O delineamento experimental foi o inteiramente casualizado com dois tratamentos (sistemas convencional e agroecológico) e duas repetições (piquetes). Valores mais elevados para massa de forragem, produção de forragem, taxa de acúmulo diário e carga animal foram observados no sistema convencional. A relação folha:colmo foi similar entre os sistemas. Valor mais elevado de proteína bruta foi observado no sistema agroecológico. O capim-elefante sob manejo convencional apresenta maior produção de forragem, com menores teores de proteína bruta. O sistema agroecológico apresenta melhor distribuição da produção de forragem no decorrer do ano

ADVANCE database characterisation and fit for purpose assessment for multi-country studies on the coverage, benefits and risks of pertussis vaccinations

Introduction: The public-private ADVANCE consortium (Accelerated development of vaccine benefit-risk collaboration in Europe) aimed to assess if electronic healthcare databases can provide fit-for purpose data for collaborative, distributed studies and monitoring of vaccine coverage, benefits and risks of vaccines. Objective: To evaluate if European healthcare databases can be used to estimate vaccine coverage, benefit and/or risk using pertussis-containing vaccines as an example. Methods: Characterisation was conducted using open-source Java-based (Jerboa) software and R scripts. We obtained: (i) The general characteristics of the database and data source (meta-data) and (ii) a detailed description of the database population (size, representatively of age/sex of national population, rounding of birth dates, delay between birth and database entry), vaccinations (number of vaccine doses, recording of doses, pattern of doses by age and coverage) and events of interest (diagnosis codes, incidence rates). A total of nine databases (primary care, regional/national record linkage) provided data on events (pertussis, pneumonia, death, fever, convulsions, injection site reactions, hypotonic hypo-responsive episode, persistent crying) and vaccines (acellular pertussis and whole cell pertussis) related to the pertussis proof of concept studies. Results: The databases contained data for a total population of 44 million individuals. Seven databases had recorded doses of vaccines. The pertussis coverage estimates were similar to those reported by the World Health Organisation (WHO). Incidence rates of ev

Quantifying outcome misclassification in multi-database studies: The case study of pertussis in the ADVANCE project

Background: The Accelerated Development of VAccine beNefit-risk Collaboration in Europe (ADVANCE) is a public-private collaboration aiming to develop and test a system for rapid benefit-risk (B/R) monitoring of vaccines using European healthcare databases. Event misclassification can result in biased estimates. Using different algorithms for identifying cases of Bordetella pertussis (BorPer) infection as a test case, we aimed to describe a strategy to quantify event misclassification, when manual chart review is not feasible. Methods: Four participating databases retrieved data from primary care (PC) setting: BIFAP: (Spain), THIN and RCGP RSC (UK) and PEDIANET (Italy); SIDIAP (Spain) retrieved data from both PC and hospital settings. BorPer algorithms were defined by healthcare setting, data domain (diagnoses, drugs, or laboratory tests) and concept sets (specific or unspecified pertussis). Algorithm- and database-specific BorPer incidence rates (IRs) were estimated in children aged 0–14 years enrolled in 2012 and 2014 and followed up until the end of each calendar year and compared with IRs of confirmed pertussis from the ECDC surveillance system (TESSy). Novel formulas were used to approximate validity indices, based on a small set of assumptions. They were applied to approximately estimate positive predictive value (PPV) and sensitivity in SIDIAP. Results: The number of cases and the estimated BorPer IRs per 100,000 person-years in PC, using data representing 3,173,268 person-years, were 0 (IR = 0.0), 21 (IR = 4.3), 21 (IR = 5.1), 79 (IR = 5.7), and 2 (IR = 2.3) in BIFAP, SIDIAP, THIN, RCGP RSC and PEDIANET respectively. The IRs for combined specific/unspecified pertussis were higher than TESSy, suggesting that some false positives had been included. In SIDIAP the estimated IR was 45.0 when discharge diagnoses were included. The sensitivity and PPV of combined PC specific and unspecific diagnoses for BorPer cases in SIDIAP were approximately 85% and 72%, respectively. Conclusion: Retrieving BorPer cases using only specific concepts has low sensitivity in PC databases, while including cases retrieved by unspecified concepts introduces false positives, which were approximately estimated to be 28% in one database. The share of cases that cannot be retrieved from a PC database because they are only seen in hospital was approximately estimated to be 15% in one database. This study demonstrated that quantifying the impact of different event-finding algorithms across databases and benchmarking with disease surveillance data can provide approximate estimates of algorithm validity