Single-Molecule Magnets: From Mn12-ac to dysprosium metallocenes, a travel in time

The discovery of the first Single-Molecule Magnet, Mn12-ac, in 1993 changed the perspective of how information can be stored. The current bit, occupying few hundreds of nanometers in present devices, would be minimized to tens of angstroms at molecular level. However, until a couple of years these materials could only operate at temperatures near to the absolute zero. From 1993 to date, the field of Single-Molecule Magnets (SMMs) has continuously evolved thanks to the close collaboration of chemists and physicists obtaining materials already operating above the liquid nitrogen temperature. This long journey, however, has involved the study of many different routes towards high performance SMMs, being each of them essential in order to deeply understand the quantum dynamics behind these molecules. An era of high spin 3d metal clusters was the beginning of everything, but it went through highly anisotropic low coordinate 3d compounds, lanthanide based magnets, radical bridged compounds and 3d-4f mixed systems, among others, to end up in the current state of the art dysprosium metallocenes. Furthermore, after the magnetic studies in bulk, SMM based hybrid systems are emerging for future application devices, which also involve very interesting multifunctionalities. All in all, this work aims to explain how these materials work and show the trajectory and some of the major advances that have been made during recent years in this fieldThis work was supported by the Spanish Ministerio de Innovación, Ciencia y Universidades (PGC2018 102052-B-C21) and by the University of the Basque Country (GIU 17/13). E.C. is gratefully acknowledged to the Junta de Andalucía (FQM-195 and the Project financed by FEDER funds A-FQM-172-UGR18). A.Z.-L. is grateful for his predoctoral fellowship from GV/EJ

Magia y tradición: Un ejemplo homérico

The world of witchcraft and magic sometimes appears in mythology; for example in Odyssey, the witch Circe poisons Odysseu's friends, transforming them into pigs and Mermes provides the antidote which saves them. With the support of the oíd botanical consultants and the popular tradition and mythology we will try to demónstrate the identity of phármakon of the witch, which in fact conceals a mysterious plant. The same proceedure will be foUowed in the Identification of moly —a plant found in the Parnaso mountain with healing properties similar to those of the ruda.El mundo de la brujería y la magia aparece en ocasiones en la mitología; en este caso, en la Odisea, la bruja Circe envenena a los amigos de Odiseo convirtiéndolos en cerdos, y Mermes proporciona a éste el antídoto para poder rescatarlos. Con el apoyo de consultores botánicos antiguos y la tradición popular y mitológica se tratará de demostrar la identidad del phármakon de la maga que esconde en realidad una planta misteriosa: la mandrágora. El mismo procedimiento se seguirá para la identificación de moly, una planta que nace en el monte Parnaso con propiedades curativas semejantes a las de la ruda

Estudio sobre dos plantas homéricas : mandrágora y moly

En la Odisea, la bruja Circe envenena a ios amigos de Odiseo, convirtiéndoles en cerdos. Mermes proporciona a éste el antídoto para poder rescatarlos. Con el apoyo de manuales botánicos y la mitología se tratará de demostrar la identidad del phármacon de la maga y su antídoto.In Odyssey, the witch Circe poisons Odysseu's friends, transforming them into pigs. Hermes provides the antidote wich saves them. With the support of the botanical consultants and the mythology we will try to demónstrate the identity of phármacon of the witch and the antidote

Formation of Irida-β-ketoimines and PCNamine-Ir(III) Complexes by Reacting Irida-β-diketones with Aliphatic Diamines: Catalytic Activity in Hydrogen Release by Methanolysis of H3N–BH3

Aliphatic diamines [(H2N(CH2)nNHR) (a–d) n = 2: R = H (a), R = CH3 (b), R = C2H5 (c), n = 3, R = H (d) or rac-2-(aminomethyl)piperidine (e)] react with [IrH(Cl){(PPh2(o-C6H4CO))2H}] in THF to afford ketoimine complexes [IrH(Cl){(PPh2(o-C6H4CO))(PPh2(o-C6H4CN(CH2)nNHR))H}] (2a–2d) or [IrH(Cl){(PPh2(o-C6H4CO))(PPh2(o-C6H4CNCH2(C5H9NH)))H}] (2e), containing a bridging N–H···O hydrogen bond and a dangling amine. Complex 2e consists of an almost equimolar mixture of two diastereomers. In protic solvents, the dangling amine in complexes 2 displaces chloride to afford cationic acyl-iminium compounds, [IrH(PPh2(o-C6H4CO))(PPh2(o-C6H4CNH(CH2)nNHR))]X (3a–3d, X = Cl) or [IrH(PPh2(o-C6H4CO))(PPh2(o-C6H4CNHCH2(C5H9NH)))]Cl (3e) and (4a–4b, X = ClO4), with new hemilabile terdentate PCNamine ligands adopting a facial disposition. Complexes 3 contain the corresponding phosphorus atom trans to hydride and the amine fragment trans to acyl, while complexes 4 contain the amine trans to hydride. 3b and 4b consist of 80:20 and 95:5 mixtures of diastereomers, respectively, while 3e contains a 65:35 mixture. In the presence of KOH, intermediate cationic acyl-iminium complexes 3 transform into neutral acyl-imine [IrH(PPh2(o-C6H4CO))(PPh2(o-C6H4CN(CH2)nNHR))] derivatives (5) with retention of the stereochemistry. Single-crystal X-ray diffraction analysis was performed on 2a, [3a]Cl, [3b]Cl, [4a]ClO4, and 5b. Complexes 2, 3, and 5 catalyze the methanolysis of ammonia-borane under air to release hydrogen. The highest activity is observed for ketoimine complexes 2.Partial financial support by Ministerio de Economía y Competitividad MINECO/FEDER (CTQ2015-65268-C2-1-P and PID2019- 111281GB-I00), Gobierno Vasco (GIC 18/143 and IT1180-19) Universidad del País Vasco (UPV/EHU), and Diputación Foral de Gipuzkoa are gratefully acknowledged. I. B. acknowledges support by UPV/EHU

El consumo de psicofármacos en pacientes que acuden a Atención Primaria en el Principado de Asturias (España)

En este estudio se analiza el consumo de psicofármacos en los pacientes que acuden a los centros de Atención Primaria del Principado de Asturias, así como las variables relacionadas con el uso de estas sustancias. La muestra se compuso de 602 personas seleccionadas mediante un muestreo por conglomerados en dos etapas. Los resultados señalan que el 37,9% de los pacientes consume psicofármacos. El consumo de estos medicamentos es significativamente superior en las mujeres, en las amas de casa, en los desempleados y en las personas con bajo nivel educativo. Los trastornos de ansiedad, del sueño y los síntomas depresivos son los motivos más frecuentes. El 28% de la muestra cumplía los criterios de dependencia a este tipo de sustancias. Estos resultados indican unas tasas de consumo muy elevadas y sugieren la necesidad de la puesta en marcha de estrategias que reduzcan el uso de psicofármacos en esta población

Synthesis, Structural Features and Physical Properties of a Family of Triply Bridged Dinuclear 3d-4f Complexes

New dinuclear MII-LnIII complexes of general formulas [Cu(µ-L)(µ-OAc)Ln(NO3 )2 ]·CH3CN· H2O (LnIII = Gd (1), Tb (2), Dy (3) and Er (4)), [Ni(CH3CN)(µ-L)(µ-OAc)Ln(NO3 )2 ]·CH3CN (LnIII = Nd (5), Gd (6), Tb (7), Dy (8), Er (9) and Y (10)) and [Co(CH3CN)(µ-L)(µ-OAc)Ln(NO3 )2 ]·CH3CN (LnIII = Gd (11), Tb (12), Dy (13), Er (14) and Y (15)) were prepared from the compartmental ligand N,N0 -dimethyl-N,N0 -bis(2-hydroxy-3-formyl-5-bromo-benzyl)ethylenediamine (H2L). In all these complexes, the transition metal ions occupy the internal N2O2 coordination site of the ligand, whereas the LnIII ions lie in the O4 external site. Both metallic ions are connected by an acetate bridge, giving rise to triple mixed diphenoxido/acetate bridged MIILnIII compounds. Direct current (dc) magnetic measurements allow the study of the magnetic exchange interactions between the 3d and 4f metal ions, which is supported by density functional theory (DFT) theoretical calculations for the GdIII - based counterparts. Due to the weak ferromagnetic exchange coupling constants obtained both experimentally and theoretically, the magneto-thermal properties of the less anisotropic systems (compounds 1 and 6) are also studied. Alternating current (ac)magnetic measurements reveal the occurrence of slight frequency dependency of the out-of-phase signal for complexes 8, 9 and 13, while complex 15 displays well-defined maximums below ~6 K.Junta de Andalucía (FQM-195 and the projects of excellence P11-FQM-7756 and A-FQM-172-UGR18)MINECO of Spain (Projects CTQ2014-56312-P and PGC2018-102052-B-C21)University of GranadaUniversity of The Basque Country UPV/EHU (Project GIU14/01

Cloud flexibility using DIRAC interware

Communities of different locations are running their computing jobs on dedicated infrastructures without the need to worry about software, hardware or even the site where their programs are going to be executed. Nevertheless, this usually implies that they are restricted to use certain types or versions of an Operating System because either their software needs an definite version of a system library or a specific platform is required by the collaboration to which they belong. On this scenario, if a data center wants to service software to incompatible communities, it has to split its physical resources among those communities. This splitting will inevitably lead to an underuse of resources because the data centers are bound to have periods where one or more of its subclusters are idle. It is, in this situation, where Cloud Computing provides the flexibility and reduction in computational cost that data centers are searching for. This paper describes a set of realistic tests that we ran on one of such implementations. The test comprise software from three different HEP communities (Auger, LHCb and QCD phenomelogists) and the Parsec Benchmark Suite running on one or more of three Linux flavors (SL5, Ubuntu 10.04 and Fedora 13). The implemented infrastructure has, at the cloud level, CloudStack that manages the virtual machines (VM) and the hosts on which they run, and, at the user level, the DIRAC framework along with a VM extension that will submit, monitorize and keep track of the user jobs and also requests CloudStack to start or stop the necessary VM's. In this infrastructure, the community software is distributed via the CernVM-FS, which has been proven to be a reliable and scalable software distribution system. With the resulting infrastructure, users are allowed to send their jobs transparently to the Data Center. The main purpose of this system is the creation of flexible cluster, multiplatform with an scalable method for software distribution for several VOs. Users from different communities do not need to care about the installation of the standard software that is available at the nodes, nor the operating system of the host machine, which is transparent to the userThis work was supported by projects FPA2007-66437- C02-01/02 assigned to UB and FPA2010-21885-C02- 01/02 and TIN 2010-17541 USC. FPA2007-66152-C02-01/02 and FPA2010-21816-C02-01/02, assigned to PICS

Zero-Field SMM Behavior Triggered by Magnetic Exchange Interactions and a Collinear Arrangement of Local Anisotropy Axes in a Linear Co3 II Complex

A new linear trinuclear Co(II)3 complex with a formula of [{Co(μ-L)}2Co] has been prepared by self-assembly of Co(II) ions and the N3O3-tripodal Schiff base ligand H3L, which is obtained from the condensation of 1,1,1-tris(aminomethyl)ethane and salicylaldehyde. Single X-ray diffraction shows that this compound is centrosymmetric with triple-phenolate bridging groups connecting neighboring Co(II) ions, leading to a paddle-wheel-like structure with a pseudo-C3 axis lying in the Co−Co−Co direction. The Co(II) ions at both ends of the Co(II)3 molecule exhibit distorted trigonal prismatic CoN3O3 geometry, whereas the Co(II) at the middle presents an elongated trigonal antiprismatic CoO6 geometry. The combined analysis of the magnetic data and theoretical calculations reveal strong easy-axis agnetic anisotropy for both types of Co(II) ions (|D| values higher than 115 cm−1) with the local anisotropic axes lying on the pseudo-C3 axis of the molecule. The magnetic exchange interaction between the middle and ends Co(II) ions, extracted by using either a Hamiltonian accounting for the isotropic magnetic coupling and ZFS or the Lines’ model, was found to be medium to strong and antiferromagnetic in nature, whereas the interaction between the external Co(II) ions is weak antiferromagnetic. Interestingly, the compound exhibits slow relaxation of magnetization and open hysteresis at zero field and therefore SMM behavior. The significant magnetic exchange coupling found for [{Co(μ-L)}2Co] is mainly responsible for the quenching of QTM, which combined with the easy-axis local anisotropy of the CoII ions and the ollinearity of their local anisotropy axes with the pseudo-C3 axis favors the observation of SMM behavior at zero field

Adsorptive Capacity, Inhibitory Activity and Processing Techniques for a Copper-MOF Based on the 3,4-Dihydroxybenzoate Ligand

Due to the fast, emerging development of antibiotic-resistant bacteria, the need for novel, efficient routes to battle these pathogens is crucial; in this scenario, metal-organic frameworks (MOFs) are promising materials for combating them effectively. Herein, a novel Cu-MOF—namely 1—that displays the formula [Cu3L2(DMF)2]n (DMF = N,N-dimethylformamide) is described, synthesized by the combination of copper(II) and 3,4-dihydroxybenzoic acid (H3L)—both having well-known antibacterial properties. The resulting three-dimensional structure motivated us to study the antibacterial activity, adsorptive capacity and processability of the MOF in the form of pellets and membranes as a proof-of-concept to evaluate its future application in devices.This work was developed within the scope of the projects given by the University of the Basque Country (GIU 20/028 Junta de Andalucía (B-FQM-734-UGR20, ProyExcel_00386 and FQM-394), the Spanish Ministry of Science, Innovation and Universities (MCIU/AEI/FEDER, UE) (PGC2018-102052-B-C21) and the CICECO−Aveiro Institute of Materials (UIDB/50011/2020 and UIDP/50011/2020)