Identification of hydrogen bonds using quantum electrodynamics

A method for the identification of hydrogen bonds was investigated from the viewpoint of the stress tensor density proposed by Tachibana and following other works in this field. Hydrogen bonds are known to exhibit common features with ionic and covalent bonds. In quantum electrodynamics, the covalent bond has been demonstrated to display a spindle structure of the stress tensor density. Importantly, this spindle structure is also seen in the hydrogen bond, although the covalency is considerably weaker than in a typical covalent bond. Distinguishing it from the ionic bond is most imperative for the identification of the hydrogen bond. In the present study, the directionality of the hydrogen bond is investigated as the ionic bond is nearly isotropic, while the hydrogen bond exhibits the directionality. It was demonstrated that the hydrogen bond can be distinguished from the ionic bond using the angle dependence of the largest eigenvalue of the stress tensor density

Electronic stress tensor analysis of hydrogenated palladium clusters

We study the chemical bonds of small palladium clusters Pd_n (n=2-9) saturated by hydrogen atoms using electronic stress tensor. Our calculation includes bond orders which are recently proposed based on the stress tensor. It is shown that our bond orders can classify the different types of chemical bonds in those clusters. In particular, we discuss Pd-H bonds associated with the H atoms with high coordination numbers and the difference of H-H bonds in the different Pd clusters from viewpoint of the electronic stress tensor. The notion of "pseudo-spindle structure" is proposed as the region between two atoms where the largest eigenvalue of the electronic stress tensor is negative and corresponding eigenvectors forming a pattern which connects them.Comment: 22 pages, 13 figures, published online, Theoretical Chemistry Account

Spitzer Observations of the HII Region NGC 2467: An Analysis of Triggered Star Formation

We present new Spitzer Space Telescope observations of the region NGC 2467, and use these observations to determine how the environment of an HII region affects the process of star formation. Our observations comprise IRAC (3.6, 4.5, 5.8, and 8.0 um) and MIPS (24 um) maps of the region, covering approximately 400 square arcminutes. The images show a region of ionized gas pushing out into the surrounding molecular cloud, powered by an O6V star and two clusters of massive stars in the region. We have identified as candidate Young Stellar Objects (YSOs) 45 sources in NGC 2467 with infrared excesses in at least two mid-infrared colors. We have constructed color-color diagrams of these sources and have quantified their spatial distribution within the region. We find that the YSOs are not randomly distributed in NGC 2467; rather, over 75% of the sources are distributed at the edge of the HII region, along ionization fronts driven by the nearby massive stars. The high fraction of YSOs in NGC 2467 that are found in proximity to gas that has been compressed by ionization fronts supports the hypothesis that a significant fraction of the star formation in NGC 2467 is triggered by the massive stars and the expansion of the HII region. At the current rate of star formation, we estimate at least 25-50% of the total population of YSOs formed by this process.Comment: Accepted to the Astrophysical Journal, set to appear in Volume 701; 18 pages, 13 figures, 4 tables. This version reflects a few major changes made in the accepted version, including new figure

Common snook fed in alternate and continuous regimens with diet supplemented with Bacillus subtilis probiotic.

The objective of this work was to evaluate the addition of Bacillus subtilis probiotic to the feed of common snook (Centropomus undecimalis) fingerlings, in alternate and continuous regimens. Six hundred and sixty fish, with verage length of 5.90±0.88 cm and weight of 1.92±0.28g, were stocked in 12 cages of 1.0 m 3 , with 55 fish each. The experimental design was completely randomized, with three treatments and four replicates. The treatments consisted of diet with the addition of probiotic, provided in alternate regimen for 7 days and in continuous regimen; besides a control without probiotic in the feed. Zootechnical performance, body composition, immune response, and blood parameters were evaluated. No significant differences were observed in zootechnical performance indexes and in body composition of fish treated with probiotic, when compared to the control. Fish from the alternate regimen showed an increment in respiratory burst and a lower total erythrocyte count than fish from the continuous regimen and the control. Fish from the continuous regimen did not differ from those of the control. The addition of Bacillus subtilis does not increase growth rates of common snook fingerlings; however, it has an immunostimulant action when supplied in alternate regimen.Título em português: Robalo?flecha alimentado em regimes alternado e contínuo com dieta suplementada com o probiótico Bacillus subtilis

Conformal Yano-Killing tensor for the Kerr metric and conserved quantities

Properties of (skew-symmetric) conformal Yano--Killing tensors are reviewed. Explicit forms of three symmetric conformal Killing tensors in Kerr spacetime are obtained from the Yano--Killing tensor. The relation between spin-2 fields and solutions to the Maxwell equations is used in the construction of a new conserved quantity which is quadratic in terms of the Weyl tensor. The formula obtained is similar to the functional obtained from the Bel--Robinson tensor and is examined in Kerr spacetime. A new interpretation of the conserved quantity obtained is proposed.Comment: 29 page

Ovulation suppression protects against chromosomal abnormalities in mouse eggs at advanced maternal age

The frequency of egg aneuploidy and trisomic pregnancies increases with maternal age. To what extent individual approaches can delay the "maternal age effect"is unclear because multiple causes contribute to chromosomal abnormalities in mammalian eggs. We propose that ovulation frequency determines the physiological aging of oocytes, a key aspect of which is the ability to accurately segregate chromosomes and produce euploid eggs. To test this hypothesis, ovulations were reduced using successive pregnancies, hormonal contraception, and a pre-pubertal knockout mouse model, and the effects on chromosome segregation and egg ploidy were examined. We show that each intervention reduces chromosomal abnormalities in eggs of aged mice, suggesting that ovulation reduction delays oocyte aging. The protective effect can be partly explained by retention of chromosomal Rec8-cohesin that maintains sister chromatid cohesion in meiosis. In addition, single-nucleus Hi-C (snHi-C) revealed deterioration in the 3D chromatin structure including an increase in extruded loop sizes in long-lived oocytes. Artificial cleavage of Rec8 is sufficient to increase extruded loop sizes, suggesting that cohesin complexes maintaining cohesion restrict loop extrusion. These findings suggest that ovulation suppression protects against Rec8 loss, thereby maintaining both sister chromatid cohesion and 3D chromatin structure and promoting production of euploid eggs. We conclude that the maternal age effect can be delayed in mice. An implication of this work is that long-term ovulation-suppressing conditions can potentially reduce the risk of aneuploid pregnancies at advanced maternal age