Science is perception: what can our sense of smell tell us about ourselves and the world around us?

Human sensory processes are well understood: hearing, seeing, perhaps even tasting and touch—but we do not understand smell—the elusive sense. That is, for the others we know what stimuli causes what response, and why and how. These fundamental questions are not answered within the sphere of smell science; we do not know what it is about a molecule that … smells. I report, here, the status quo theories for olfaction, highlighting what we do not know, and explaining why dismissing the perception of the input as ‘too subjective’ acts as a roadblock not conducive to scientific inquiry. I outline the current and new theory that conjectures a mechanism for signal transduction based on quantum mechanical phenomena, dubbed the ‘swipe card’, which is perhaps controversial but feasible. I show that such lines of thinking may answer some questions, or at least pose the right questions. Most importantly, I draw links and comparisons as to how better understanding of how small (10’s of atoms) molecules can interact so specially with large (10 000’s of atoms) proteins in a way that is so integral to healthy living. Repercussions of this work are not just important in understanding a basic scientific tool used by us all, but often taken for granted, it is also a step closer to understanding generic mechanisms between drug and receptor, for example

Crystal effects in the Neutralization of He+ ions in the low energy ion scattering regime

4 pages.-- PACS nrs.: 34.35.+a, 68.47.De, 68.49.Sf, 79.20.Rf.Investigating possible crystal effects in ion scattering from elemental surfaces, measurements of the positive ion fraction P+ are reported for He+ ions scattered from single and polycrystalline Cu surfaces. In the Auger neutralization regime, the ion yield is determined by scattering from the outermost atomic layer. For Cu(110) P+ exceeds that for polycrystalline Cu by up to a factor of 2.5, thus exhibiting a strong crystal effect. It is much less pronounced at higher energies, i.e., in the reionization regime. However, there a completely different angular dependence of the ion yield is observed for poly- and single crystals, due to massive subsurface contributions in nonchanneling directions.This work was partially supported by the Austrian Science Fund FWF, project number P16469.Peer reviewe

Electronic stopping power in gold: the role of d electrons and the H/He anomaly.

The electronic stopping power of H and He moving through gold is obtained to high accuracy using time-evolving density-functional theory, thereby bringing usual first principles accuracies into this kind of strongly coupled, continuum nonadiabatic processes in condensed matter. The two key unexplained features of what observed experimentally have been reproduced and understood: (i) The nonlinear behavior of stopping power versus velocity is a gradual crossover as excitations tail into the d-electron spectrum; and (ii) the low-velocity H/He anomaly (the relative stopping powers are contrary to established theory) is explained by the substantial involvement of the d electrons in the screening of the projectile even at the lowest velocities where the energy loss is generated by s-like electron-hole pair formation only

Trace elements and isotopes analyses on historical samples of white sharks from the Mediterranean Sea

The white shark Carcharodon carcharias has been present in the Mediterranean Sea since 3.2 million years ago. Nevertheless, the current population shows a low genetic variability suggesting an endangered small population, on which there is scarce information regarding ecotoxicology or trophic ecology. Given that white shark's sightings are rare in the Mediterranean and the possibility of obtaining samples is highly limited, the aim of this research was to provide general information regarding the concentration of trace elements and stable isotopes (delta N-15 and delta C-13). Laboratory analyses were performed on 18 and 12 subsamples from two different white sharks' vertebrae obtained from two adult specimens caught in 1987, in Favignana Island, Italy. Perforations were made along the vertebrae to describe both trace elements and stable isotopes at different life stages. A total of 38 trace elements were analysed, in which the highest concentrations were found in Fe, Sr, U, Pb, and Zn. The fluctuations of these elements during the ontogeny of both individuals could have been related to changes in diet and environment, although the specific origin remains unknown. Regarding stable isotopes, the vertebrae from the male showed an isotopic range from 9.6 parts per thousand to 10.8 parts per thousand (delta N-15) and from -16.5 parts per thousand to -13.0 parts per thousand (delta C-13) with a mean +/- SD value of 10.3 +/- 0.4 parts per thousand for delta N-15 and -14.6 +/- 1.3 parts per thousand for delta C-13; whereas the female vertebrae had an isotopic range from 9.8 parts per thousand to 11.1 parts per thousand (delta N-15) and from -16.9 parts per thousand to -15.0 parts per thousand (delta C-13), with a mean +/- SD value of 10.8 +/- 0.6 parts per thousand for delta N-15 and -15.8 +/- 0.8 parts per thousand for delta C-13. There were no significant delta N-15 differences (U = 6, p = 0.07346) between the two individuals. However, there were just significant differences in delta C-13 (t = -1.8, p = 0.049256), which could suggest sexual segregation in terms of habitat use and feeding habits

Photochemistry and spectroscopy of molecules at surfaces: Insights from ab initio molecular dynamics

Resumen del trabajo presentado al 2nd CECAM Workshop: "Challenges in reaction dynamics of gas-­surface interactions and methodological advances in dissipative and non­adiabatic processes", celebrado en Toulouse (France) del 27 al 30 de septiembre de 2021.Peer reviewe

Sodium ion interactions with aqueous glucose: Insights from quantum mechanics, molecular dynamics, and experiment

In the last several decades, significant efforts have been conducted to understand the fundamental reactivity of glucose derived from plant biomass in various chemical environments for conversion to renewable fuels and chemicals. For reactions of glucose in water, it is known that inorganic salts naturally present in biomass alter the product distribution in various deconstruction processes. However, the molecular-level interactions of alkali metal ions and glucose are unknown. These interactions are of physiological interest as well, for example, as they relate to cation-glucose cotransport. Here, we employ quantum mechanics (QM) to understand the interaction of a prevalent alkali metal, sodium, with glucose from a structural and thermodynamic perspective. The effect on B-glucose is subtle: a sodium ion perturbs bond lengths and atomic partial charges less than rotating a hydroxymethyl group. In contrast, the presence of a sodium ion significantly perturbs the partial charges of α-glucose anomeric and ring oxygens. Molecular dynamics (MD) simulations provide dynamic sampling in explicit water, and both the QM and the MD results show that sodium ions associate at many positions with respect to glucose with reasonably equivalent propensity. This promiscuous binding nature of Na + suggests that computational studies of glucose reactions in the presence of inorganic salts need to ensure thorough sampling of the cation positions, in addition to sampling glucose rotamers. The effect of NaCl on the relative populations of the anomers is experimentally quantified with light polarimetry. These results support the computational findings that Na + interacts similarly with a- and B-glucose

Statistical analysis to perform improvement actions in Final Degree Projects. A proposal for the Degree in Pharmacy

[EN] A statistical analysis of the most important characteristics of the Final Degree Projects (FDP) of the Degree in Pharmacy at the University of the Basque Country (UPV / EHU) has been carrying out. The sample analyzed was 264 FDP. The results of the analysis, a multivariate logistic regression, have confirmed, among other aspects, that a great majority of the FDP contain knowledge of a single module of the curriculum, and their content is usually not directly linked to any of job opportunities of the Degree. To reverse this trend, this paper proposes an intervention that resolves the observed deficiencies and improves the execution dynamics of the FDP. The proposal includes a working methodology of a teaching team that is involved and participates in the approach, elaboration, direction and evaluation of the FDP. In addition, an example of the methodology applied to job opportunity of the Community Pharmacy is presenting. The teaching team is multidisciplinary, formed by specialists in different subjects of all the courses of the Degree, of five areas of knowledge belonging to four of the six modules developed in the curriculum. The teaching team and the participating students work with a methodology of Problem Based Learning (PBL). This proposal strengthens the coordination of teaching teams, the originality and creativity of the FDP, the active role of students and teachers and a direct relationship with professional opportunities, which can be implementing in any degree. This work was financing by the UPV / EHU[ES] Se ha realizado un análisis estadístico de las características más importantes de los Trabajos de Fin de Grado (TFG) del Grado en Farmacia en la Universidad del País Vasco (UPV/EHU). La muestra analizada ha sido de 264 TFG. Los resultados del análisis, una regresión logística multivariante, han constatado, entre otros aspectos, que una gran mayoría de los TFG, contienen conocimientos de un único módulo del plan de estudios, y su contenido no suele estar directamente ligado a alguna de las salidas profesionales del Grado. Para revertir esta tendencia, en este trabajo se plantea una intervención que resuelva las carencias observadas y mejore la dinámica de ejecución de los TFG. La propuesta incluye una metodología de trabajo de un equipo docente que se involucra y participa en el planteamiento, elaboración, dirección y evaluación de los TFG. Además, se presenta un ejemplo de la metodología aplicada a la salida profesional de la Farmacia Comunitaria. El equipo docente es multidisciplinar, formado por especialistas en diversas materias de todos los cursos del Grado, de cinco áreas de conocimiento pertenecientes a cuatro de los seis módulos desarrollados en el plan de estudios. El equipo docente y el alumnado participante trabajan con una metodología de Aprendizaje Basado en Problemas (ABP). Esta propuesta, potencia la coordinación de equipos docentes, la originalidad y creatividad de los TFG, el protagonismo activo del alumnado y profesorado y una relación directa con las salidas profesionales, que puede implementarse en cualquier Grado. Este trabajo contó con la financiación de la UPV/EHU.Berraondo Juaristi, M.; Fernández De Aránguiz Guridi, MY.; Fernández De Aránguiz Guridi, A.; Ruiz Ortega, J.; Ayerbe Diaz, M.; Lecea Arana, B.; Martínez De Marigorta Izaga, E.... (2018). Análisis estadístico para realizar acciones de mejora en los Trabajos Fin de Grado. Una propuesta para el Grado en Farmacia. REDU. Revista de Docencia Universitaria. 16(2):17-38. doi:10.4995/redu.2018.9847SWORD173816