Reactivity Indexes and Structure of Fullerenes

The discovery of fullerenes and their production in measurable quantities launched many studies about their reactivity and possible applications. Their peculiar structure opened possibilities for their study, initially replacing carbon atoms with alternative atoms. The surface also offers the possibility of attaching several species and the interior of their hollow structure represents a challenge because of the possibility of confining elements or molecules that may become less stable when attached to the exterior of the cage. These modifications may considerably affect both chemical and physical properties. In this chapter, we propose the encapsulation of 3–10 nitrogen atoms as aggregates inside the C70 cage. We also study the structures and reactivity indexes and the stabilization conferred as a result of being part of the fullerene. These aggregates are mainly of interest because of their possible application as energetic materials

Long-term monitoring of the internal energy distribution of isolated cluster systems

A method is presented to monitor the internal energy distribution of cluster anions via delayed electron detachment by pulsed photoexcitation and demonstrated on Co$_4{}^-$ in an electrostatic ion beam trap. In cryogenic operation, we calibrate the detachment delay to internal energy. By laser frequency scans, at room temperature, we reconstruct the time-dependent internal energy distribution of the clusters. The mean energies of ensembles from a cold and a hot ion source both approach thermal equilibrium. Our data yield a radiative emission law and the absorptivity of the cluster for thermal radiation.Comment: Manuscript LaTeX with 6 pages, 4 figures, plus LaTeX supplement with 9 pages, 4 figures and 2 tables. This article has been accepted by Physical Review Letter

Análisis de los actuales servicios de información para los centros de investigación

Se exponen los criterios de los autores acerca de la masificación de los servicios personalizados y de valor añadidos en los centros de información al servicio de los centros de investigación, así como las posibilidades inmediatas de la implementación de estos servicios y la consecuente elevación de las prestaciones en los centros de información. Se analizan los criterios que fundamentan la propuesta, la forma de implementación y las posibilidades de aplicación teniendo en cuenta realidades como la cubana. Una vez planteada la filosofía de trabajo a utilizar, se realiza un análisis pormenorizado de los tipos de servicios a implementar. Se señalan las potencialidades de la informetría a la hora de implementar estas modalidades de trabajo que hemos denominado servicio por la obligación que impone la convención

Structure and electronic behavior of 26-atom Cu-Ag and Cu-Au nanoalloys

We hereby present a density functional theory (DFT) study of the structural, energetic, and electronic properties of the binary clusters CunX26-n (with X = Ag and Au). Our electronic calculations were performed with the DFT package GAUSSIAN 09, and we chose the BPW91 exchange correlation functional in combination with an effective core potential LANL2DZ basis set as our level of theory. We find that in the case of these clusters and in a completely different way – as compared to the bulk chemical order observed in both alloys CuAg (segregation) and CuAu (ordering) –, for small n both Ag and Au clusters exhibit a similar chemical order, finding the Cu atoms in the center of the cluster with the tendency to form core shell structures. On the other hand, for large n values the Ag and Au atoms tend to occupy surface positions forming separated surface islands that keep the two metal atoms separated as long as the concentration allows it. Concerning the structural properties, a clear increase in the interatomic distance of the Ag-Ag and Au-Au surface pairs is observed, particularly in the equiatomic region. In conclusion, both nanoalloys CuAg and CuAu behave quite similarly in contrast to their respective bulk cases

Basal area increment series of dominant trees of Pseudotsuga menziesii (Mirb.) Franco show periodicity according to global climate patterns

Las especies forestales como Pseudotsuga menziesii (Mirb.) Franco son sensibles al clima y muestran anillos de crecimiento claramente definidos. La selección cuidadosa de árboles dominantes con fuste circular permite el análisis de tendencias de crecimiento arbóreo. En este estudio se utilizaron mediciones directas del incremento del área basal (IAB) para explicar las periodicidades biológicas y elaborar predicciones del crecimiento en el abeto Douglas-fir que crece en el oeste de México. Para eliminar el efecto de la edad en el crecimiento de los árboles se hizo un análisis en términos de la edad del cámbium. Los resultados mostraron correlación significativa (P < 0.05) entre IAB y la precipitación de enero a julio. Además, se encontraron periodicidades de 7, 21, 27 y 60 años en el crecimiento de los árboles; el periodo de 60 años fue determinante para la construcción de un modelo ARIMA (0,1,1) para realizar predicciones del IAB en las próximas décadas. Las proyecciones del crecimiento proponen una reducción del IAB en árboles maduros dominantes en las próximas décadas. Dicha reducción es un resultado inesperado, debido a que el IAB en árboles dominantes permanece constante hasta una edad biológica de senescencia. Los resultados concuerdan con una tendencia general de reducción en el crecimiento en otros bosques del mundo debido a estrés hídrico, lo cual sugiere que la variabilidad climática futura puede empeorar la condición de salud del abeto Douglas-fir de los bosques del norte de México

Efficacy, Pharmacokinetics, and Toxicity Profiles of a Broad Anti-SARS-CoV-2 Neutralizing Antibody

We recently reported the isolation and characterization of an anti-SARS-CoV-2 antibody, called IgG-A7, that protects transgenic mice expressing the human angiotensin-converting enzyme 2 (hACE-2) from an infection with SARS-CoV-2 Wuhan. We show here that IgG-A7 protected 100% of the transgenic mice infected with Delta (B.1.617.2) and Omicron (B.1.1.529) at doses of 0.5 and 5 mg/kg, respectively. In addition, we studied the pharmacokinetic (PK) profile and toxicology (Tox) of IgG-A7 in CD-1 mice at single doses of 100 and 200 mg/kg. The PK parameters at these high doses were proportional to the doses, with serum half-life of ~10.5 days. IgG-A7 was well tolerated with no signs of toxicity in urine and blood samples, nor in histopathology analyses. Tissue cross-reactivity (TCR) with a panel of mouse and human tissues showed no evidence of IgG-A7 interaction with the tissues of these species, supporting the PK/Tox results and suggesting that, while IgG-A7 has a broad efficacy profile, it is not toxic in humans. Thus, the information generated in the CD-1 mice as a PK/Tox model complemented with the mouse and human TCR, could be of relevance as an alternative to Non-Human Primates (NHPs) in rapidly emerging viral diseases and/or quickly evolving viruses such as SARS-CoV-2

Global attitudes in the management of acute appendicitis during COVID-19 pandemic: ACIE Appy Study

Background: Surgical strategies are being adapted to face the COVID-19 pandemic. Recommendations on the management of acute appendicitis have been based on expert opinion, but very little evidence is available. This study addressed that dearth with a snapshot of worldwide approaches to appendicitis. Methods: The Association of Italian Surgeons in Europe designed an online survey to assess the current attitude of surgeons globally regarding the management of patients with acute appendicitis during the pandemic. Questions were divided into baseline information, hospital organization and screening, personal protective equipment, management and surgical approach, and patient presentation before versus during the pandemic. Results: Of 744 answers, 709 (from 66 countries) were complete and were included in the analysis. Most hospitals were treating both patients with and those without COVID. There was variation in screening indications and modality used, with chest X-ray plus molecular testing (PCR) being the commonest (19\ub78 per cent). Conservative management of complicated and uncomplicated appendicitis was used by 6\ub76 and 2\ub74 per cent respectively before, but 23\ub77 and 5\ub73 per cent, during the pandemic (both P < 0\ub7001). One-third changed their approach from laparoscopic to open surgery owing to the popular (but evidence-lacking) advice from expert groups during the initial phase of the pandemic. No agreement on how to filter surgical smoke plume during laparoscopy was identified. There was an overall reduction in the number of patients admitted with appendicitis and one-third felt that patients who did present had more severe appendicitis than they usually observe. Conclusion: Conservative management of mild appendicitis has been possible during the pandemic. The fact that some surgeons switched to open appendicectomy may reflect the poor guidelines that emanated in the early phase of SARS-CoV-2