Estrutura populacional e parâmetros genéticos da característica classe de tempo em corridas de equinos da raça Quarto de Milha

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Efeito prebiótico de xilo-oligossacarídeos produzidos a partir da hemicelulose de bagaço de cana-de-açúcar utilizando extração alcalina e hidrólise de xilanases fúngicas

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

The Role of Molecular Conformation and Polarizable Embedding for One- and Two-Photon Absorption of Disperse Orange 3 in Solution

Solvent effects on the one- and two-photon absorption (IPA and 2PA) of disperse orange 3 (DO3) in dimethyl sulfoxide (DMSO) are studied using a discrete polarizable embedding (PE) response theory. The scheme comprises a quantum region containing the chromophore and an atomically granulated classical region for the solvent accounting for full interactions within and between the two regions. Either classical molecular dynamics (MD) or hybrid Car-Parrinello (CP) quantum/classical (QM/MM) molecular dynamics simulations are employed to describe the solvation of DO3 in DMSO, allowing for an analysis of the effect of the intermolecular short-range repulsion, long-range attraction, and electrostatic interactions on the conformational changes of the chromophore and also the effect of the solute-solvent polarization. PE linear response calculations are performed to verify the character, solvatochromic shift, and overlap of the two lowest energy transitions responsible for the linear absorption spectrum of DO3 in DMSO in the visible spectral region. Results of the PE linear and quadratic response calculations, performed using uncorrelated solute-solvent configurations sampled from either the classical or hybrid CP QM/MM MD simulations, are used to estimate the width of the line shape function of the two electronic lowest energy excited states, which allow a prediction of the 2PA cross-sections without the use of empirical parameters. Appropriate exchange-correlation functionals have been employed in order to describe the charge-transfer process following the electronic transitions of the chromophore in solution.

A simple analysis of the influence of the solvent-induced electronic polarization on the N-15 magnetic shielding of pyridine in water

Electronic polarization induced by the interaction of a reference molecule with a liquid environment is expected to affect the magnetic shielding constants. Understanding this effect using realistic theoretical models is important for proper use of nuclear magnetic resonance in molecular characterization. In this work, we consider the pyridine molecule in water as a model system to briefly investigate this aspect. Thus, Monte Carlo simulations and quantum mechanics calculations based on the B3LYP/6-311++G (d,p) are used to analyze different aspects of the solvent effects on the N-15 magnetic shielding constant of pyridine in water. This includes in special the geometry relaxation and the electronic polarization of the solute by the solvent. The polarization effect is found to be very important, but, as expected for pyridine, the geometry relaxation contribution is essentially negligible. Using an average electrostatic model of the solvent, the magnetic shielding constant is calculated as -58.7 ppm, in good agreement with the experimental value of -56.3 ppm. The explicit inclusion of hydrogen-bonded water molecules embedded in the electrostatic field of the remaining solvent molecules gives the value of -61.8 ppm.

Planetary transit candidates in the CoRoT LRa01 field

Context. CoRoT is a pioneering space mission whose primary goals are stellar seismology and extrasolar planets search. Its surveys of large stellar fields generate numerous planetary candidates whose lightcurves have transit-like features. An extensive analytical and observational follow-up effort is undertaken to classify these candidates. Aims. We present the list of planetary transit candidates from the CoRoT LRa01 star field in the Monoceros constellation toward the Galactic anti-center direction. The CoRoT observations of LRa01 lasted from 24 October 2007 to 3 March 2008. Methods. We acquired and analyzed 7470 chromatic and 3938 monochromatic lightcurves. Instrumental noise and stellar variability were treated with several filtering tools by different teams from the CoRoT community. Different transit search algorithms were applied to the lightcurves. Results. Fifty-one stars were classified as planetary transit candidates in LRa01. Thirty-seven (i.e., 73% of all candidates) are "good" planetary candidates based on photometric analysis only. Thirty-two (i.e., 87% of the "good" candidates) have been followed-up. At the time of writing twenty-two cases were solved and five planets were discovered: three transiting hot-Jupiters (CoRoT-5b, CoRoT-12b, and CoRoT-21b), the first terrestrial transiting planet (CoRoT-7b), and another planet in the same system (CoRoT-7c, detected by radial velocity survey only). Evidence of another non-transiting planet in the CoRoT-7 system, namely CoRoT-7d, was recently found as well.

Ab initio quantum mechanical investigation of structural and chemical-physical properties of selected minerals for minero-petrological, structural ceramic and biomaterial applications

The purpose of this thesis is the atomic-scale simulation of the crystal-chemical and physical (phonon, energetic) properties of some strategically important minerals for structural ceramics, biomedical and petrological applications. These properties affect the thermodynamic stability and rule the mineral-environment interface phenomena, with important economical, (bio)technological, petrological and environmental implications. The minerals of interest belong to the family of phyllosilicates (talc, pyrophyllite and muscovite) and apatite (OHAp), chosen for their importance in industrial and biomedical applications (structural ceramics) and petrophysics. In this thesis work we have applicated quantum mechanics methods, formulas and knowledge to the resolution of mineralogical problems ("Quantum Mineralogy”). The chosen theoretical approach is the Density Functional Theory (DFT), along with periodic boundary conditions to limit the portion of the mineral in analysis to the crystallographic cell and the hybrid functional B3LYP. The crystalline orbitals were simulated by linear combination of Gaussian functions (GTO). The dispersive forces, which are important for the structural determination of phyllosilicates and not properly con-sidered in pure DFT method, have been included by means of a semi-empirical correction. The phonon and the mechanical properties were also calculated. The equation of state, both in athermal conditions and in a wide temperature range, has been obtained by means of variations in the volume of the cell and quasi-harmonic approximation. Some thermo-chemical properties of the minerals (isochoric and isobaric thermal capacity) were calculated, because of their considerable applicative importance. For the first time three-dimensional charts related to these properties at different pressures and temperatures were provided. The hydroxylapatite has been studied from the standpoint of structural and phonon properties for its biotechnological role. In fact, biological apatite represents the inorganic phase of vertebrate hard tissues. Numerous carbonated (hydroxyl)apatite structures were modelled by QM to cover the broadest spectrum of possible biological structural variations to fulfil bioceramics applications.

Stejnulxin, a novel snake C-type lectin-like protein from Trimeresurus stejnegeri venom is a potent platelet agonist acting specifically via GPVI

Stejnulxin, a novel snake C-type lectin-like protein with potent platelet activating activity, was purified and characterized from Trimeresurus stejnegeri venom. Under non-reducing conditions, it migrated on a SDS-polyacrylamide gel with an apparent molecular mass of 120 kDa. On reduction, it separated into three polypeptide subunits with apparent molecular masses of 16 kDa (alpha), 20 kDa (beta1) and 22 kDa (beta2), respectively. The complete amino acid sequences of its subunits were deduced from cloned cDNAs. The N-terminal sequencing and cDNA cloning indicated that beta1 and beta2 subunits of stejnulxin have identical amino acid sequences and each contains two N-glycosylation sites. Accordingly, the molecular mass difference between beta1 and beta2 is caused by glycosylation heterogenity. The subunit amino acid sequences of stejnulxin are similar to those of convulxin, with sequence identities of 52.6% and 66.4% for the alpha and beta, respectively. Stejnulxin induced human platelet aggregation in a dose-dependent manner. Antibodies against alphaIIbbeta3 inhibited the aggregation response to stejnulxin, indicating that activation of alphaIIbbeta3 and binding of fibrinogen are involved in stejnulxin-induced platelet aggregation. Antibodies against GPIbalpha or alpha2beta1 as well as echicetin or rhodocetin had no significant effect on stejnulxin-induced platelet aggregation. However, platelet activation induced by stejnulxin was blocked by anti-GPVI antibodies. In addition, stejnulxin induced a tyrosine phosphorylation profile in platelets that resembled that produced by convulxin. Biotinylated stejnulxin bound specifically to platelet membrane GPVI.

Tôrā nevî'îm û-ktûvîm

mil-lešôn haq-qôdeš neʿetāqîm û-vi-lšôn aškenaz niktāvîm ... ʿal yedê ... Yôsēf Bar-Aleksander ...

[Sēfer ham-maggîd] : hû pērûš maspîq ʿal ... nevîʿîm ... û-ktûvîm

neʿetāqîm li-lšôn aškenaz .. ham-meḥabbēr Yaʿaqōv Ben-... Yiṣḥāq

Taking up national safety alerts to improve patient safety in hospitals: The perspective of healthcare quality and risk managers.

BACKGROUND National safety alert systems publish relevant information to improve patient safety in hospitals. However, the information has to be transformed into local action to have an effect on patient safety. We studied three research questions: How do Swiss healthcare quality and risk managers (qm/rm(1)) see their own role in learning from safety alerts issued by the Swiss national voluntary reporting and analysis system? What are their attitudes towards and evaluations of the alerts, and which types of improvement actions were fostered by the safety alerts? METHODS A survey was developed and applied to Swiss healthcare risk and quality managers, with a response rate of 39 % (n=116). Descriptive statistics are presented. RESULTS The qm/rm disseminate and communicate with a broad variety of professional groups about the alerts. While most respondents felt that they should know the alerts and their contents, only a part of them felt responsible for driving organizational change based on the recommendations. However, most respondents used safety alerts to back up their own patient safety goals. The alerts were evaluated positively on various dimensions such as usefulness and were considered as standards of good practice by the majority of the respondents. A range of organizational responses was applied, with disseminating information being the most common. An active role is related to using safety alerts for backing up own patient safety goals. CONCLUSIONS To support an active role of qm/rm in their hospital's learning from safety alerts, appropriate organizational structures should be developed. Furthermore, they could be given special information or training to act as an information hub on the issues discussed in the alerts.

The Harmonic Oscillator's Frobenius Solution

The Frobenius solution to the differential equations associated with the harmonic oscillator (QM) is carried out in detail.

Petrological parameters of sands and sandstones from DSDP and ODP holes in arc-related areas

Detrital modes for 524 deep-marine sand and sandstone samples recovered on circum-Pacific, Caribbean, and Mediterranean legs of the Deep Sea Drilling Project and the Ocean Drilling Program form the basis for an actualistic model for arc-related provenance. This model refines the Dickinson and Suczek (1979) and Dickinson and others (1983) models and can be used to interpret the provenance/tectonic history of ancient arc-related sedimentary sequences. Four provenance groups are defined using QFL, QmKP, LmLvLs, and LvfLvmiLvl ternary plots of site means: (1) intraoceanic arc and remnant arc, (2) continental arc, (3) triple junction, and (4) strike-slip-continental arc. Intraoceanic- and remnant-arc sands are poor in quartz (mean QFL%Q < 5) and rich in lithics (QFL%L > 75); they are predominantly composed of plagioclase feldspar and volcanic lithic fragments. Continental-arc sand can be more quartzofeldspathic than the intraoceanic- and remnant-arc sand (mean QFL%Q values as much as 10, mean QFL%F values as much as 65, and mean QmKP%Qm as much as 20) and has more variable lithic populations, with minor metamorphic and sedimentary components. The triple-junction and strike-slip-continental groups compositionally overlap; both are more quartzofeldspathic than the other groups and show highly variable lithic proportions, but the strike-slip-continental group is more quartzose. Modal compositions of the triple junction group roughly correlate with the QFL transitional-arc field of Dickinson and others (1983), whereas the strike-slip-continental group approximately correlates with their dissected-arc field.

Composition of Carnian to Norian sandstones from the Wombat Plateau (Table 1)

The Carnian to Norian sediments, as much as 600 m in total thickness, recovered from ODP Sites 759 and 760 on the Wombat Plateau, are generally represented by fluvial-dominated deltaic successions. In general, the Carnian to Norian sandstones are quartzose. The average ratio of monocrystalline quartz grains, total feldspar grains, and total lithic fragments (i.e., Qm:F:Lt ratio) is 71:22:7. This indicates that they were derived mainly from the transitional continental and cratonic interior provenance terranes, such as the Pilbara Precambrian block to the south of the Wombat Plateau. The upper Carnian sediments, however, are characterized by more feldspathic sandstone petrofacies. They typically contain some volcanic rock fragments with trachytic texture and indicate the onset of the incipient rift-related tectonic movement, such as uplift and subsequent abrupt basin subsidence, together with volcanism in the Gondwana continental block. Mixed siliciclastic and carbonate cycles are typically intercalated in the prodelta to delta front deposits that developed mainly in a lagoon-like, restricted marine environment. The restricted marine environment developed during transgressions as the outflow of shallow water was restricted by depositional barriers. Around the barriers and/or delta lobes, carbonate shoals/banks were probably developed and the allochemical components of the neritic limestones may have been transported into the restricted marine environment by overwash processes and/or storm waves. Siliciclastic detritus, on the other hand, was mainly derived accompanied by delta progradation dominated by fluvial processes in the restricted marine environment. Therefore, we interpret the mixed siliciclastic and carbonate cycles in the deltaic successions to be a result of transgression-regression cycles in a deltaic system during the Late Triassic.

Pollen and macroremains from profiles from site Osterholz and Elm

The biostratigraphic classification of the Pleistocene in north-western and central Europe is still insufficiently known, in spite of numerous geological and vegetation-history investigations. The question is not even clear, for example, how often a warm-period vegetation with thermophilous trees such as Quercus, Ulmus, Tilia, Carpinus etc could develop here. In past years, on the basis of several geological and vegetation-history findings, suspicion has often been expressed that some of the classical stages of the Pleistocene could include more warm periods than heretofore assumed, and as a result of recent investigations the period between the Waal and Holstein interglacials seems to include at least two warm periods, of which the Cromer is one. This paper contributes to this problem. The interglacial sediments coming from the Elm-Mountains near Brunswick and from the Osterholz near Elze - both within the limits of the German Mittelgebirge - were investigated by pollen analysis. In both cases a Pinus-Betula zone and a QM zone were found. The vegetation development of the Pinus-Betula zone is characterized in both sequences by the early appearance of Picea. Because of strong local influence at the Osterholz a detailed correlation is difficult. However, vegetation development at the time of the QM zone at both sites was similar; it is especially characterized by the facts that Ulmus clearly migrated to the site earlier than Quercus and was very abundant throughout this time. Furthermore, both diagrams show very low amounts of Corylus. The interglacial of the Osterholz shows in addition to the above; a Carpinus-QM-Picea-zone in which Eucommia reaches a relative high value and in the upper of which Azolla filiculoides was also found. The similarity of vegetation development justifies acceptance of the same age for the occurrences. A comparison of the vegetation development at the Elm and the Osterholz with those of the Eem, Holstein, Waal, and Tegelen warm periods as well as with all the Cromer sites so far investigated shows that only a correlation with the Cromer Complex is possible. This correlation is supported by the geologic relations in the Osterholz (the deposit is overlain by Elster till). Therefore the till-like material with Scandinavian rock fragments underlying the deposit at Elm is of particular interest. The 'Rhume' interglacial beds at Bilshausen, only 60 km south of Osterholz, is also assigned to the Cromer complex, but the two deposits cannot be of the same age because the vegetation development differs. Therefore the Cromer complex must include at least two warm periods. Further conclusions about the relative stratigraphic position of these two occurrences and correlations of other Cromer sites are at this time not possible, however.

Oxygen isotope composition of planktonic foraminifer Globigerinoides ruber in sediment core GeoB1413 from the eastern edge of the South Atlantic central gyre

Die Paläozeanographie versucht die Klimageschichte des Quartärs zu rekonstruieren und die Zusammenhänge zwischen Klimaänderungen und ozeanischer Zirkulation besser zu verstehen. Ein wichtiges Hilfsmittel stellen die planktischen Foraminiferen dar. Die Analyse planktischer Foraminiferengemeinschaften hat gezeigt, daß die Verbreitung dieser Protozoa durch die Umweltbedingungen in den Oberflächenwasserströmen bestimmt wird (BoLTOVSKOY, 1969; CIFELLI& BENIER, 1976; OTIENS, 1991). Durch ihre Ablagerung und Erhaltung am Meeresboden speichern sie diese Informationen und bilden einen Indikator für Wassermassen und Oberflächenwassertemperaturschichtung. Zeitliche und räumliche Veränderungen der Faunenvergesellschaftungen und der Verhältnisse stabiler Sauerstoff- und Kohlenstoffisotope einzelner Foraminiferenarten haben damit einen maßgeblichen Beitrag zur Kenntnis der spätquartären Temperatur- und Zirkulationsänderungen der Oberflächenströme geliefert (SHACKLETON & OPDYKE, 1973; BE et al., 1976; RUDDIMAN & McooYRE, 1976; VINCENT & BERGER, 1981; CLIMAP, 1981; RA VELO et al., 1990). Mit Hilfe der planktischen Foraminiferen soll diese Arbeit einen Beitrag zur Rekonstruktion der spätquartären Ozeanographie des Südatlantiks liefern. Die Oberflächenströme des Südatlantiks sind das Bindeglied im Wärmeaustausch zwischen niederen und hohen Breiten. Durch den Südäquatorialstrom (SEC) werden warme Wassermassen, die sich aufgrund der hohen Sonneneinstrahlung im tropischen Atlantik gebildet haben, in den Nordatlantik transportiert. Die Wärme wird im Nordatlantik unter Bildung des Nordatlantischen-Tiefenwassers (NADW) an die Atmosphäre abgegeben. Durch dieses Ereignis wird maßgeblich das nordeuropäische Klima beeinflußt (BROECKER & DENTON, 1989). Die Intensität des SEC wird durch den saisonal variierenden SE-, NE-Passat gesteuert, der hauptsächlich durch die Präzession der geneigten Erdachse bzw. durch die Insolation auf der Nordhalbkugel kontrolliert wird (Mc OOYRE et aI., 1989; MOLFINO & Mc INTYRE, 1990). Der SEC fließt entlang des Äquators von Ost nach West und kalte, nährstotfreiche, tiefere Wassermassen (Südatlantisches-Zentralwasser (SACW)) steigen vor allem im Osten auf und erzeugen das hochproduktive äquatoriale Auftriebsgebiet. Im Osten ist der Temperaturgradient in der Wassersäule steiler, und die Thermoklinentiefe nimmt von Ost nach West zu. Die Lage der Thermokline ist damit ein wesentlicher Faktor, der den Wärmehaushalt im Atlantik mitbestimmt. So wird z. B. im äquatorialen Auftriebsgebiet und im Auftriebsgebiet des küstennahen Benguela-Stroms, wo die Thermoklinentiefe durch aufsteigende kalte Wassermassen gering ist, eine Wärmezunahme von 100 W/qm im Wärmehaushalt erreicht (PETERSON & STRAMMA, 1991). Zur spätquartären Rekonstruktion des Wärmeflusses und der Oberflächenzirkulation im Südostatlantik ist es daher wichtig, auch die zeitlichen und räumlichen Veränderungen tieferer Wasserschichten (bis 300 m) zu erfassen.