Examination of the Feynman-Hibbs Approach in the Study of NeN_N-Coronene Clusters at Low Temperatures

Feynman-Hibbs (FH) effective potentials constitute an appealing approach for investigations of many-body systems at thermal equilibrium since they allow us to easily include quantum corrections within standard classical simulations. In this work we apply the FH formulation to the study of Ne$_N$-coronene clusters ($N=$ 1-4, 14) in the 2-14 K temperature range. Quadratic (FH2) and quartic (FH4) contributions to the effective potentials are built upon Ne-Ne and Ne-coronene analytical potentials. In particular, a new corrected expression for the FH4 effective potential is reported. FH2 and FH4 cluster energies and structures -obtained from energy optimization through a basin-hoping algorithm as well as classical Monte Carlo simulations- are reported and compared with reference path integral Monte Carlo calculations. For temperatures $T> 4$ K, both FH2 and FH4 potentials are able to correct the purely classical calculations in a consistent way. However, the FH approach fails at lower temperatures, especially the quartic correction. It is thus crucial to assess the range of applicability of this formulation and, in particular, to apply the FH4 potentials with great caution. A simple model of $N$ isotropic harmonic oscillators allows us to propose a means of estimating the cut-off temperature for the validity of the method, which is found to increase with the number of atoms adsorbed on the coronene molecule

Coronene molecules in helium clusters: Quantum and classical studies of energies and configurations

Under the terms of the Creative Commons Attribution (CC BY) license to their work.Coronene-doped helium clusters have been studied by means of classical and quantum mechanical (QM) methods using a recently developed He–C24H12 global potential based on the use of optimized atom-bond improved Lennard-Jones functions. Equilibrium energies and geometries at global and local minima for systems with up to 69 He atoms were calculated by means of an evolutive algorithm and a basin-hopping approach and compared with results from path integral Monte Carlo (PIMC) calculations at 2 K. A detailed analysis performed for the smallest sizes shows that the precise localization of the He atoms forming the first solvation layer over the molecular substrate is affected by differences between relative potential minima. The comparison of the PIMC results with the predictions from the classical approaches and with diffusion Monte Carlo results allows to examine the importance of both the QM and thermal effects.This work has been supported by MICINN Grant Nos. FIS2011-29596-C02-01, FIS2013-48275-C2-1-P, and FIS2014-51993-P. R.R.-C. acknowledges funding from the Grant No. JAE-Pre-2010-01277. J.H.-R. and J.B. acknowledge the financial support from Ministerio de Economía y Competitividad under Grant No. FIS2013-41532-P.Peer reviewe

Covalent Immobilization of Antibodies through Tetrazine-TCO Reaction to Improve Sensitivity of ELISA Technique

This research was funded by Compra Publica Precomercial, Reference 2012/000069, Ministerio de Economia y Competitividad, Espana. ONCOVER project: Volatile compound detection system for early cancer diagnosis.Enzyme-linked immunosorbent assay (ELISA) is routinely used to detect biomolecules related to several diseases facilitating diagnosis and monitoring of these, as well as the possibility of decreasing their mortality rate. Several methods have been carried out to improve the ELISA sensitivity through antibodies immobilization on the microtiter plates. Here, we have developed a strategy of antibodies immobilization to improve the ELISA sensitivity increasing the antibody density surface through the tetrazine (Tz)-trans-cyclooctene (TCO) reaction. For this, we prepared surfaces with tetrazine groups while the captured antibody was conjugated with TCO. The tetrazine surfaces were prepared in two different ways: (1) from aminated plates and (2) from Tz-BSA-coated plates. The surfaces were evaluated using two sandwich ELISA models, one of them using the low-affinity antibody anti-c-myc as a capture antibody to detect the c-myc-GST-IL8h recombinant protein, and the other one to detect the carcinoembryonic human protein (CEA). The sensitivity increased in both surfaces treated with tetrazine in comparison with the standard unmodified surface. The c-myc-GST-IL8h detection was around 10-fold more sensible on both tetrazine surfaces, while CEA ELISA detection increased 12-fold on surfaces coated with Tz-BSA. In conclusion, we show that it is possible to improve the ELISA sensitivity using this immobilization system, where capture antibodies bond covalently to surfaces.Compra Publica Precomercial, Ministerio de Economia y Competitividad, Espana 2012/00006

Phylogenetic Analysis of West Nile Virus, Nuevo Leon State, Mexico

West Nile virus RNA was detected in brain tissue from a horse that died in June 2003 in Nuevo Leon State, Mexico. Nucleotide sequencing and phylogenetic analysis of the premembrane and envelope genes showed that the virus was most closely related to West Nile virus isolates collected in Texas in 2002

Helium nanodroplets as an efficient tool to investigate hydrogen attachment to alkali cations

9 pags., 10 figs. -- This article is part of the themed collection: Stability and properties of new-generation metal and metal-oxide clusters down to subnanometer scaleWe report a novel method to reversibly attach and detach hydrogen molecules to positively charged sodium clusters formed inside a helium nanodroplet host matrix. It is based on the controlled production of multiply charged helium droplets which, after picking up sodium atoms and exposure to H2 vapor, lead to the formation of Nam+(H2)n clusters, whose population was accurately measured using a time-of-flight mass spectrometer. The mass spectra reveal particularly favorable Na+(H2)n and Na2+(H2)n clusters for specific “magic” numbers of attached hydrogen molecules. The energies and structures of these clusters have been investigated by means of quantum-mechanical calculations employing analytical interaction potentials based on ab initio electronic structure calculations. A good agreement is found between the experimental and the theoretical magic numbers.This work was supported by the Austrian Science Fund, FWF (project number P31149) and the Spanish MICINN with Grants FIS2016-79596-P and PID2019-105225GB-I00 (JB, JHR); PID2020- 114654GB-I00/AEI/10.13039/501100011033, 2021-2024 (TGL,MB) and PID2020-114957GB-I00/AEI/10.13039/501100011033 (JCM, MIH). Collaboration has also been supported by the CSIC under i-Link+ program LINKB20041. Allocation of computing time by CESGA (Spain) is also acknowledged.Peer reviewe

Autoantibody screening in Guillain-Barré syndrome

Background: Guillain?Barré syndrome (GBS) is an acute inflammatory neuropathy with a heterogeneous presentation. Although some evidences support the role of autoantibodies in its pathogenesis, the target antigens remain unknown in a substantial proportion of GBS patients. The objective of this study is to screen for autoantibodies targeting peripheral nerve components in Guillain-Barré syndrome. Methods: Autoantibody screening was performed in serum samples from all GBS patients included in the International GBS Outcome study by 11 different Spanish centres. The screening included testing for anti-ganglioside antibodies, anti-nodo/paranodal antibodies, immunocytochemistry on neuroblastoma-derived human motor neurons and murine dorsal root ganglia (DRG) neurons, and immunohistochemistry on monkey peripheral nerve sections. We analysed the staining patterns of patients and controls. The prognostic value of anti-ganglioside antibodies was also analysed. Results: None of the GBS patients (n = 100) reacted against the nodo/paranodal proteins tested, and 61 (61%) were positive for, at least, one anti-ganglioside antibody. GBS sera reacted strongly against DRG neurons more frequently than controls both with IgG (6% vs 0%; p = 0.03) and IgM (11% vs 2.2%; p = 0.02) immunodetection. No differences were observed in the proportion of patients reacting against neuroblastoma-derived human motor neurons. Reactivity against monkey nerve tissue was frequently detected both in patients and controls, but specific patterns were only detected in GBS patients: IgG from 13 (13%) patients reacted strongly against Schwann cells. Finally, we confirmed that IgG anti-GM1 antibodies are associated with poorer outcomes independently of other known prognostic factor

Autoantibody screening in Guillain-Barré syndrome

Background: Guillain-Barré syndrome (GBS) is an acute inflammatory neuropathy with a heterogeneous presentation. Although some evidences support the role of autoantibodies in its pathogenesis, the target antigens remain unknown in a substantial proportion of GBS patients. The objective of this study is to screen for autoantibodies targeting peripheral nerve components in Guillain-Barré syndrome. Methods: Autoantibody screening was performed in serum samples from all GBS patients included in the International GBS Outcome study by 11 different Spanish centres. The screening included testing for anti-ganglioside antibodies, anti-nodo/paranodal antibodies, immunocytochemistry on neuroblastoma-derived human motor neurons and murine dorsal root ganglia (DRG) neurons, and immunohistochemistry on monkey peripheral nerve sections. We analysed the staining patterns of patients and controls. The prognostic value of anti-ganglioside antibodies was also analysed. Results: None of the GBS patients (n = 100) reacted against the nodo/paranodal proteins tested, and 61 (61%) were positive for, at least, one anti-ganglioside antibody. GBS sera reacted strongly against DRG neurons more frequently than controls both with IgG (6% vs 0%; p = 0.03) and IgM (11% vs 2.2%; p = 0.02) immunodetection. No differences were observed in the proportion of patients reacting against neuroblastoma-derived human motor neurons. Reactivity against monkey nerve tissue was frequently detected both in patients and controls, but specific patterns were only detected in GBS patients: IgG from 13 (13%) patients reacted strongly against Schwann cells. Finally, we confirmed that IgG anti-GM1 antibodies are associated with poorer outcomes independently of other known prognostic factors. Conclusion: Our study confirms that (1) GBS patients display a heterogeneous repertoire of autoantibodies targeting nerve cells and structures; (2) gangliosides are the most frequent antigens in GBS patients and have a prognostic value; (3) further antigen-discovery experiments may elucidate other potential antigens in GBS

Actividad bacteriocinogénica de bacterias aisladas de digestivos de peces marinos salvajes

El crecimiento exponencial que ha sufrido la acuicultura en las últimas décadas ha dado lugar a un incremento en número y virulencia de las enfermedades bacterianas que afectan a los peces cultivados. Hasta la fecha, el control de estas enfermedades se ha realizado a través del uso de vacunas y antibióticos, así como de la desinfección del agua y el control biológico, el uso de inmunoestimulantes no-específicos y suplementos dietéticos, entre otros. Pero una mala gestión de estas enfermedades, asociada sobre todo al abuso de antibióticos, ha sido asociada a la aparición de reservorios de bacterias resistentes a antibióticos, tanto en animales como en el ambiente acuático, con el consiguiente peligro para la salud humana (1, 2). El empleo de bacteriocinas como alternativa a los antibióticos parece ser una alternativa plausible para el control y tratamiento de estas enfermedades de una manera inocua y sostenible (3, 4). Pese a que en los últimos años se ha intensificado la búsqueda de cepas productoras de bacteriocinas frente a bacterias patógenas marinas, desafortunadamente todavía son pocas las cepas totalmente caracterizadas (5). El presente estudio tiene por objetivo caracterizar cepas bacterianas con actividad bacteriocinogénica aisladas de intestinos de peces salvajes del Mar Cantábrico. Para ello se procesaron un total de 19 intestinos pertenecientes a 19 ejemplares, cada uno de una especie diferente capturados en el Mar Cantábrico (Cantabria). De estas muestras se aislaron un total de 198 colonias en medio de cultivo TSA, en base a su morfología, color y brillo, que fueron seleccionadas para comprobar su actividad antagonista frente a patógenos de peces de acuicultura. Como cepas indicadoras patógenas de peces se emplearon: Vibrio splendidus y Vibrio anguillarum, y cepas patógenas aisladas de cultivos de lenguado senegalés (Solea senegalensis). Se detectaron 15 cepas de bacterias marinas que presentaban actividad antagonista frente al menos una de las cepas patógenas, de las cuales 4 mostraron actividad inhibitoria frente a más de una especie patógena. La identificación de las cepas procedentes del medio marino seleccionadas se realizó mediante la secuenciación del gen 16S ARN, presentando una homología >99% a Myroides sp. y Alcaligenes sp. Finalmente se estudió el efecto de los parámetros físico-químicos en la actividad bactericida (pH, temperatura y proteasas)

Twitter as a Tool for Teaching and Communicating Microbiology: The #microMOOCSEM Initiative

Online social networks are increasingly used by the population on a daily basis. They are considered a powerful tool for science communication and their potential as educational tools is emerging. However, their usefulness in academic practice is still a matter of debate. Here, we present the results of our pioneering experience teaching a full Basic Microbiology course via Twitter (#microMOOCSEM), consisting of 28 lessons of 40-45 minutes duration each, at a tweet per minute rate during 10 weeks. Lessons were prepared by 30 different lecturers, covering most basic areas in Microbiology and some monographic topics of general interest (malaria, HIV, tuberculosis, etc.). Data analysis on the impact and acceptance of the course were largely affirmative, promoting a 330% enhancement in the followers and a >350-fold increase of the number of visits per month to the Twitter account of the host institution, the Spanish Society for Microbiology. Almost one third of the course followers were located overseas. Our study indicates that Massive Online Open Courses (MOOC) via Twitter are highly dynamic, interactive, and accessible to great audiences, providing a valuable tool for social learning and communicating science. This strategy attracts the interest of students towards particular topics in the field, efficiently complementing customary academic activities, especially in multidisciplinary areas like Microbiology.Versión del edito

Factors associated with the clinical outcome of patients with relapsed/refractory CD19+acute lymphoblastic leukemia treated with ARI-0001 CART19-cell therapy

The prognosis of patients with relapsed/refractory (R/R) acute lymphoblastic leukemia (ALL) remains poor, particularly for those relapsing after allogeneic hema-topoietic cell transplantation (alloHCT). Novel agents such as inotuzumab ozogamicin or blinatumomab achieve increased response rates, but these are generally transient unless followed by alloHCT. Chimeric antigen receptors (CAR) targeting CD19 have shown promising results in R/R ALL, and one of these products (tisagenlecleucel) has been approved for the treatment of patients with R/R ALL up to 25 years of age