Ultracold environments composed by atoms or molecules offer an opportunity to study chemical reactions at the quantum-state level, for simulation of solid-state systems, as qubits in quantum ...computing, and for test fundamental symmetries. Those ultracold conditions formed by molecules can be obtained from cryogenic buffer gas, via supersonic expansion, followed by deceleration or from the laser cooling process. Diatomic alkaline earth monofluoride molecules have been shown as great candidates for the laser cooling process. In this sense, the present work focuses on the characterization of the low-lying doublet electronic states correlated to the first dissociation channel of the alkaline earth monofluorides diatomic molecules MF (M = Be, Mg and Ca). The developed state-of-the-art methodology was based on a qualitative analysis of the diatomic electronic structure, employing a hypothetical potential energy curve or by a simple molecular orbital diagram combined with bond order analysis. The potential energy curves, excitation and dissociation energies, and various sets of spectroscopic parameters were calculated by the MRCI/cc-pV5Z methodology. Transition probabilities for emission and radiative lifetimes among the characterized electronic states were also calculated for the (A)2Π ⟶ (X)2Σ+ electronic transition. Comparing the spectroscopy properties, we were able to indicate the CaF molecule as the best candidate molecule for laser cooling devices among the studied molecules.
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•Low-lying electronic states of the BeF, MgF and CaF molecules•The ionic and covalent character description of polar molecules•CaF molecule is a good candidate for laser cooling•Emission spectra of the (A)2Π ⟶ (X)2Σ+ electronic transition
•We present a new model based on the fractal structure of social groups to describe the epidemic spread of diseases.•The model gives the number of contacts among those individuals infecting the ...population.•The q-exponential function is the basic mathematical tool to describe the transmission of the virus.•The SIR model is a special case of the fractal model, recovered when the number of contacts is sufficiently large.•We demonstrated the model’s self-consistency. The model reproduces the data more accurately than the SIR model.
A common basis to address the dynamics of directly transmitted infectious diseases, such as COVID-19, are compartmental (or SIR) models. SIR models typically assume homogenous population mixing, a simplification that is convenient but unrealistic. Here we validate an existing model of a scale-free fractal infection process using high-resolution data on COVID-19 spread in São Caetano, Brazil. We find that transmission can be described by a network in which each infectious individual has a small number of susceptible contacts, of the order of 2–5. This model parameter correlated tightly with physical distancing measured by mobile phone data, such that in periods of greater distancing the model recovered a lower average number of contacts, and vice versa. We show that the SIR model is a special case of our scale-free fractal process model in which the parameter that reflects population structure is set at unity, indicating homogeneous mixing. Our more general framework better explained the dynamics of COVID-19 in São Caetano, used fewer parameters than a standard SIR model and accounted for geographically localized clusters of disease. Our model requires further validation in other locations and with other directly transmitted infectious agents.
Evolution and epidemic spread of SARS-CoV-2 in Brazil Candido, Darlan S; Claro, Ingra M; de Jesus, Jaqueline G ...
Science (American Association for the Advancement of Science),
09/2020, Letnik:
369, Številka:
6508
Journal Article
Recenzirano
Odprti dostop
Brazil currently has one of the fastest-growing severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) epidemics in the world. Because of limited available data, assessments of the impact of ...nonpharmaceutical interventions (NPIs) on this virus spread remain challenging. Using a mobility-driven transmission model, we show that NPIs reduced the reproduction number from >3 to 1 to 1.6 in São Paulo and Rio de Janeiro. Sequencing of 427 new genomes and analysis of a geographically representative genomic dataset identified >100 international virus introductions in Brazil. We estimate that most (76%) of the Brazilian strains fell in three clades that were introduced from Europe between 22 February and 11 March 2020. During the early epidemic phase, we found that SARS-CoV-2 spread mostly locally and within state borders. After this period, despite sharp decreases in air travel, we estimated multiple exportations from large urban centers that coincided with a 25% increase in average traveled distances in national flights. This study sheds new light on the epidemic transmission and evolutionary trajectories of SARS-CoV-2 lineages in Brazil and provides evidence that current interventions remain insufficient to keep virus transmission under control in this country.
This work investigated the effect of the addition of different antioxidants (ascorbic acid, glucose oxidase, cysteine, and jabuticaba extract) on the rheological and sensorial properties of the ...probiotic petit suisse cheese. Absence of influence of the antioxidants at the physico-chemical characteristics of the petit suisse cheese was observed. Overall, the petit suisse cheeses presented weak gel characteristics and behaved as pseudoplastic material, except for control. All treatments exhibited a thixotropic non-Newtonian behavior; however, higher hysteresis area was obtained for control sample, which indicates that antioxidants incorporated to petit suisse had a protective effect on the typical thixotropic behavior of the Quark gel. The commercial sample presented higher scores for all aspects by consumers, whereas the probiotic petit suisse samples presented opposite behavior. Projective mapping was able to generate a vocabulary where the sample containing jabuticaba skin extract obtained by supercritical extraction was characterized by the panelists as presenting grape flavor and purple color.
This study proposes a new approach to discriminate low and full-fat yogurts using instrumental analysis and chemometric techniques. One hundred twenty six strawberry flavored yogurts were subjected ...to instrumental analysis of pH, color and firmness. Exploratory methods, such as Principal Component Analysis (PCA) and Hierarchical Cluster Analysis (HCA), and supervised classification methods, such as K-nearest neighbors (KNN), soft independent modeling of class analogy (SIMCA), and Partial Least Square Discriminant Analysis (PLSDA) were used for assessing the data. The results showed that low- and full-fat yogurts presented different with regard to all the variables analyzed. It was not possible to obtain total separation between the samples using PCA and HCA. KMN and PLSDA presented excellent performance toward the full-fat category, with 100% correct prediction which suggests only low-fat yogurts to be subjected to the traditional fat content determination methods. This approach can be incentivized by the health agencies aimed to optimize materials and financial resources.
► Discrimination of yogurts toward the fat content using chemometric methods. ► Excellent performance relative to the full-fat class was obtained. ► Potential application for the dairy industry is suggested.
In recent years, the advent of a new generation of radial velocity instruments has allowed us to detect planets with increasingly lower mass and to break the one Earth-mass barrier. Here we report a ...new milestone in this context by announcing the detection of the lowest-mass planet measured so far using radial velocities: L 98-59 b, a rocky planet with half the mass of Venus. It is part of a system composed of three known transiting terrestrial planets (planets b–d). We announce the discovery of a fourth nontransiting planet with a minimum mass of 3.06
−0.37
+0.33
M
⊕
and an orbital period of 12.796
−0.019
+0.020
days and report indications for the presence of a fifth nontransiting terrestrial planet. With a minimum mass of 2.46
−0.82
+0.66
M
⊕
and an orbital period 23.15
−0.17
+0.60
days, this planet, if confirmed, would sit in the middle of the habitable zone of the L 98-59 system. L 98-59 is a bright M dwarf located 10.6ṗc away. Positioned at the border of the continuous viewing zone of the
James Webb
Space Telescope, this system is destined to become a corner stone for comparative exoplanetology of terrestrial planets. The three transiting planets have transmission spectrum metrics ranging from 49 to 255, which undoubtedly makes them prime targets for an atmospheric characterization with the
James Webb
Space Telescope, the
Hubble
Space Telescope, Ariel, or ground-based facilities such as NIRPS or ESPRESSO. With an equilibrium temperature ranging from 416 to 627 K, they offer a unique opportunity to study the diversity of warm terrestrial planets without the unknowns associated with different host stars. L 98-59 b and c have densities of 3.6
−1.5
+1.4
and 4.57
−0.85
+0.77
g cm
−3
, respectively, and have very similar bulk compositions with a small iron core that represents only 12 to 14% of the total mass, and a small amount of water. However, with a density of 2.95
−0.51
+0.79
g cm
−3
and despite a similar core mass fraction, up to 30% of the mass of L 98-59 d might be water.
We evaluated the activity of the aqueous fraction and the ethyl acetate fraction of Stryphnodendron adstringens against Staphylococcus aureus and proposed their mechanism of action. The antibacterial ...activity of S. adstringens fractions was evaluated against S. aureus and the cell targets were rated by docking. The fractions showed moderate antibacterial activity against S. aureus without toxicity on two mammalian cell lines. They also showed synergistic antibacterial activity with tannic acid (TA). In silico assays indicated FabG, FabZ and FabI as probable targets. The metabolic pathway for fatty acid biosynthesis in S. aureus was affected by components of S. adstringens. The synergistic effect when combining TA with S. adstringens fractions suggests a natural alternative to S. aureus control.
Significance and Impact of the Study
This is the first study describing the possible targets of action of Stryphnodendron adstringens on Staphylococcus aureus. Molecular dynamics simulations showed that the components of S. adstringens affected the metabolic pathway for fatty acid biosynthesis (FAS II) in S. aureus, inhibiting the FabI, FabG and FabZ enzymes. As tannic acid (TA) is a known inhibitor of some targets identified, we showed synergistic antibacterial activity of S. adstringens in combination with TA. This combination did not show toxicity against HaCaT and Vero cells and based on all these results we suggest that S. adstringens can be a natural and sustainable alternative to S. aureus control.
Significance and Impact of the Study: This is the first study describing the possible targets of action of Stryphnodendron adstringens on Staphylococcus aureus. Molecular dynamics simulations showed that the components of S. adstringens affected the metabolic pathway for fatty acid biosynthesis (FAS II) in S. aureus, inhibiting the FabI, FabG and FabZ enzymes. As tannic acid (TA) is a known inhibitor of some targets identified, we showed synergistic antibacterial activity of S. adstringens in combination with TA. This combination did not show toxicity against HaCaT and Vero cells and based on all these results we suggest that S. adstringens can be a natural and sustainable alternative to S. aureus control.
Subtle quantum properties offer exciting new prospects in optical communications. For example, quantum entanglement enables the secure exchange of cryptographic keys and the distribution of quantum ...information by teleportation. Entangled bright beams of light are increasingly appealing for such tasks, because they enable the use of well-established classical communications techniques. However, quantum resources are fragile and are subject to decoherence by interaction with the environment. The unavoidable losses in the communication channel can lead to a complete destruction of entanglement, limiting the application of these states to quantum-communication protocols. We investigate the conditions under which this phenomenon takes place for the simplest case of two light beams, and analyse characteristics of states which are robust against losses. Our study sheds new light on the intriguing properties of quantum entanglement and how they may be harnessed for future applications.
Abstract Iron deficiency is the most common nutritional disorder worldwide with substantial impact on health and economy. Current treatments predominantly rely on soluble iron which adversely affects ...the gastrointestinal tract. We have developed organic acid-modified Fe(III) oxo-hydroxide nanomaterials, here termed nano Fe(III), as alternative safe iron delivery agents. Nano Fe(III) absorption in humans correlated with serum iron increase ( P < 0.0001) and direct in vitro cellular uptake ( P = 0.001), but not with gastric solubility. The most promising preparation (iron hydroxide adipate tartrate: IHAT) showed ~80% relative bioavailability to Fe(II) sulfate in humans and, in a rodent model, IHAT was equivalent to Fe(II) sulfate at repleting haemoglobin. Furthermore, IHAT did not accumulate in the intestinal mucosa and, unlike Fe(II) sulfate, promoted a beneficial microbiota. In cellular models, IHAT was 14-fold less toxic than Fe(II) sulfate/ascorbate. Nano Fe(III) manifests minimal acute intestinal toxicity in cellular and murine models and shows efficacy at treating iron deficiency anaemia. From the Clinical Editor This paper reports the development of novel nano-Fe(III) formulations, with the goal of achieving a magnitude less intestinal toxicity and excellent bioavailability in the treatment of iron deficiency anemia. Out of the tested preparations, iron hydroxide adipate tartrate met the above criteria, and may become an important tool in addressing this common condition.
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