Bending modulus of lipid membranes from density correlation functions.

The bending modulus κ quantifies the elasticity of biological membranes in terms of the free energy cost of increasing the membrane corrugation. Molecular dynamics (MD) simulations provide a powerful approach to quantify κ by analyzing the thermal fluctuations of the lipid bilayer. However, existing methods require the identification and filtering of non-mesoscopic fluctuation modes. State of the art methods rely on identifying a smooth surface to describe the membrane shape. These methods introduce uncertainties in calculating κ since they rely on different criteria to select the relevant fluctuation modes. Here, we present a method to compute κ using molecular simulations. Our approach circumvents the need to define a mesoscopic surface or an orientation field for the lipid tails explicitly. The bending and tilt moduli can be extracted from the analysis of the density correlation function (DCF). The method introduced here builds on the Bedeaux and Weeks (BW) theory for the DCF of fluctuating interfaces and on the coupled undulatory (CU) mode introduced by us in previous work. We test the BW-DCF method by computing the elastic properties of lipid membranes with different system sizes (from 500 to 6000 lipid molecules) and using coarse-grained (for POPC and DPPC lipids) and fully atomistic models (for DPPC). Further, we quantify the impact of cholesterol on the bending modulus of DPPC bilayers. We compare our results with bending moduli obtained with X-ray diffraction data and different computer simulation methods

Synthesis, structural characterization and broadband ferromagnetic resonance in Li ferrite nanoparticles

Lithium ferrites are well known materials due to its numerous technological applications especially in microwave devices. Lithium ferrite nanoparticles were prepared by sol-gel technique by means of Pechini method, and then annealed at different temperatures in 250–1000 °C range. XRD confirms spinel formation with particles sizes in 15–700 nm range, with increased size with annealing temperature, whereas FTIR and Raman measurement confirm that single phase lithium ferrite with ordered cationic structure is obtained. Microwave magnetoabsorption data of the annealed lithium ferrite nanoparticles were obtained with a broadband system based on a network analyzer that operates up to 8.5 GHz. At fields up to 200 mT we can observe a broad absorption peak that shifts to higher frequencies with magnetic field according to ferromagnetic resonance theory. The amplitude of absorption, up to 85%, together with the frequency width of about 5.5 GHz makes this material suitable as wave absorber. FMR parameters like resonance field, linewidth and broadening are analyzed in order to obtain the characteristic parameters and analyze the microwave behaviour.publishe

Corso, un buldog con ansiedad por separación

Se describe un caso de ansiedad por separación en un Buldog Francés macho de 1,7 años de edad. Sus dueños acuden a la consulta, ya que Corso destroza todo cuando se queda solo en casa. En un primer momento fue el salón, en donde fue necesario realizar obras de reparación de los destrozos provocados por el paciente. En la actualidad es un pasillo, su nueva ubicación cuando está solo. El tratamiento se compuso de tres partes: terapia farmacológica consistente en Trankimazin 1mg 1/24h y Fluoxetina 20mg 1/24h, la modificación de su entorno y una modificación de conducta, facilitada por el propio tratamiento farmacológico. Siete meses después, tras varios seguimientos, Corso es dado el alta, prolongándole el tratamiento farmacológico de Fluoxetina, media dosis durante un mes más.Privateering is described to a case of separation anxiety in a French Bulldog of 1,7 years, called Corso. The owners go to the clinic because Corso destroys everything when left alone at home. Initially was the living room where they had to make repairs of damage caused by Corso. Currently is a corridor, its new location when left alone. Treatment consisted of three parts: first the pharmacological treatment Trankimazin 1mg 1/24h and Fluoxetina 20mg 1/24h, then changing his environment and also a behavior modification helped by the pharmalogical treatment. Seven months later, and after several follow-ups, Corso was medical discharged but the pharmacological treatment was maintained for a month with half dose of Fluoxetina

Broadband transverse susceptibility in multiferroic Y-type hexaferrite Ba0.5_{0.5}Sr1.5_{1.5}Co2_2Fe12_{12}O22{22}

Single phase multiferroics in which ordered magnetic and ferroelectricity coexist, are of great interest for new multifunctional devices, and among them Y-type hexaferrites are good candidates. Transverse susceptibility measurements, which have been proved to be a versatile tool to study singular properties of bulk and nanoparticle magnetic systems, have been carried out with a broadband system on polycrystalline Y type hexaferrites with composition Ba$_{0.5}$Sr$_{1.5}$Co$_2$Fe$_{12}$O${22}$, optimal to exhibit multiferroic properties. In the temperature range 80-350 K transverse susceptibility measurements with DC fields up to $\pm$5000 Oe reveal different behaviour depending on the sintering temperature. The thermal evolution of the anisotropy field peak exhibit four regions with different slopes: positive in 80-130 K, negative in 130-200 K, constant in 200-280 K and negative in 280-350 K, which can be considered a signature of spin transitions in this compound.Comment: arXiv admin note: substantial text overlap with arXiv:2401.1614

Fuzzy closure relations

The concept of closure operator is key in several branches of mathematics. In this paper, closure operators are extended to relational structures, more specifically to fuzzy relations in the framework of complete fuzzy lattices. The core of the work is the search for a suitable definition of (strong) fuzzy closure relation, that is, a fuzzy relation whose relation with fuzzy closure systems is one-to-one. The study of the properties of fuzzy closure systems and fuzzy relations helps narrow down this exploration until an appropriate definition is settled.This research is partially supported by the State Agency of Research (AEI), the Spanish Ministry of Science, Innovation and Universities (MCIU), the European Social Fund (FEDER), the Junta de Andalucía (JA), and the Universidad de Málaga (UMA) through the FPU19/01467 (MCIU) internship and the research projects with reference PGC2018-095869-B-I00, TIN2017-89023-P (MCIU/AEI/FEDER, UE) and UMA2018-FEDERJA-001 (JA/UMA/FEDER, UE). Funding for open access charge: Universidad de Málaga

Anomalous Raman Modes in Tellurides

Two broad bands are usually found in the Raman spectrum of many Te-based chalcogenides, which include binary compounds, like ZnTe, CdTe, HgTe, GaTe, GeTe, SnTe, PbTe, GeTe2, As2Te3, Sb2Te3, Bi2Te3, NiTe2, IrTe2, TiTe2, as well as ternary compounds, like GaGeTe, SnSb2Te4, SnBi2Te4, and GeSb2Te5. Many different explanations have been proposed in the literature for the origin of these two anomalous broad bands in tellurides, usually located between 119 and 145 cm-1. They have been attributed to the own sample, to oxidation, to the folding of Brillouin-edge modes onto the zone center, to the existence of a double resonance, like that of graphene, or to the formation of Te precipitates. In this paper, we provide arguments to demonstrate that such bands correspond to clusters or precipitates of trigonal Te in form of nanosize or microsize grains or layers that are segregated either inside or at the surface of the samples. Several mechanisms for Te segregation are discussed and sample heating caused by excessive laser power during Raman scattering measurements is emphasized. Finally, we show that anomalous Raman modes related to Se precipitates also occur in selenides, thus providing a general vision for a better characterization of selenides and tellurides by means of Raman scattering measurements and for a better understanding of chalcogenides in general.Comment: 45 pages, 8 figure

Dissociation role on the catalytic activity of organic halides in CO2 conversion to cyclic carbonates: Experimental and computational study

There is a limited number of systematic CO 2 conversion studies that provide a clear understanding of the effect of the active sites of catalysts. Hence, this work examines the catalytic activity of 24 organic salts consisting of chloride, bromide or iodide anions and imidazolium, ammonium, or phosphonium-based cations, in the synthesis of hexylene and styrene carbonates from CO 2 , resulting in a diverse range of yields. The findings revealed that high yields depend heavily on catalyst solubility in the reaction medium, but solubility alone does not guarantee reaction success. This finding supports the new hypothesis that catalyst dissociation, reliant on solubility, is a critical factor in defining the catalytic activity. A strong correlation was observed between carbonate yields and the dissociation constants of catalysts, calculated using the COSMO-RS method. This suggests that greater dissociation, reflecting weaker cation-anion interactions, facilitates the anion nucleophilic attack on the epoxide. Also, the relationship between calculated dissociation constant and experimental ionic conductivity was successfully validated. This highlights the significance of organic salt dissociation on catalytic performance and validates the use of computational tools to predict key operational parameters, enhancing the understanding and optimization of CO 2 conversion into cyclic carbonatesTED2021-129803A-I0

Student Reciprocal Peer Teaching as a Method for Active Learning: An Experience in an Electrotechnical Laboratory

Active learning is one of the most efficient mechanisms for learning, according to the psychology of learning. When students act as teachers for other students, the communication is more fluent and knowledge is transferred easier than in a traditional classroom. This teaching method is referred to in the literature as reciprocal peer teaching. In this study, the method is applied to laboratory sessions of a higher education institution course, and the students who act as teachers are referred to as ‘‘laboratory monitors.’’ A particular way to select the monitors and its impact in the final marks is proposed. A total of 181 students participated in the experiment, experiences with laboratory monitors are discussed, and methods for motivating and training laboratory monitors and regular students are proposed. The types of laboratory sessions that can be led by classmates are discussed. This work is related to the changes in teaching methods in the Spanish higher education system, prompted by the Bologna Process for the construction of the European Higher Education Are