Raman spectroscopy meets organic biradicals. Study of a new diindeno [B,I] anthracene derivative

Comunicación oral a congresoIn recent years, there has been a renewed interest in the study of open-shell polycyclic aromatic hydrocarbons (PAHs). Among them, biradicals exhibit attractive electronic, magnetic and optical properties which make them promising candidates for a wide range of applications in organic electronics, such as nonlinear optics, molecular spintronics, energy storage and organic photovoltaic devices sensitized by singlet fission. Despite all the promising properties of open-shell PAHs, a common drawback still needs to be overcome: the high reactivity of radicals, which implies that most open-shell species tend to be too short-lived for practical aplications and even for characterization [1]. In this regard, Raman spectroscopy has shown to be a suitable tool for studying this kind of molecular systems, being able to provide valuable information. This work reports the study of a new biradical, diindeno[b,i]anthracene (DIAn)[2], [3] , highlighting the crucial role played by Raman Spectroscopy in the characterization of the ground electronic state as well as in the rationalization of the ambipolar behavior shown in OFETs. To this end, neutral and charged species has been studied by Raman spectroscopy as a function of excitation wavelength, temperatura and pressure.Universidad de Málaga. Campus de Excelencia Internacional Andalucía Tech

Raman spectroscopy as a versatile tool to study organic biradicals

Since -conjugated organic molecules were probed as potential semiconducting materials, suitable for replacing the widely used silicon technologies, their structural, optical and conductive properties have been under study to improve their application in organic electronics and to make possible their ad hoc synthesis. In this sense, the modification of the -electron delocalization path is one of the available tools to tune the properties of the molecules to obtain the desired characteristics for the fabrication of these devices. One of the parameters employed to tailor -conjugated organic molecules for organic electronics is the diradical character. A progressive change in the diradical contribution to the ground electronic state structure can tune some of the main system features, highlighting the HOMO-LUMO energy gap and the aggregation mode. The main drawback of this approach is the loss of chemical stability when increasing the diradical character of these molecules. On the other hand, the -electron delocalization can be interrupted introducing a perpendicularly conjugated path. The competition of these two cross-conjugated patterns leads to a new 2-dimensional delocalization scenario that changes the electronic properties of the studied materials. In this project, we present a stable quinoidal quaterthiophene diradical that possess outstanding stability and conductivity properties. [1] The combination of the diradical character together with the possibility to delocalize the electron density through two different perpendicular paths explain its exceptional behavior in comparison with the other members of the series, or with its linearly conjugated analogues. The balance between these two properties has been evaluated through UV-Vis-NIR electronic spectroscopy and Raman and IR vibrational spectroscopy in the neutral and charged forms of the target molecule and similar non-cross-conjugated samples.Universidad de Málaga. Campus de Excelencia Internacional Andalucía Tech

Generador de conjuntos de pruebas paramétricos BPELUnit para composiciones WS-BPEL

Código fuente disponible en https://neptuno.uca.es/redmine/projects/sources-f

Soft Skills: A Comparative Analysis Between Online and Classroom Teaching

Currently the Spanish universities are making a great effort to effectively incorporate the development and assessment of generic skills in their training programs. Information and communications technologies (ICT) offer a wide range of possibilities but create uncertainty among teachers about the process and results. It is considered of interest to conduct a study to analyze the extent to which social skills like commitment, communication and teamwork are acquired by students and teachers. It seeks to ascertain the influence of the learning context, online or classroom training, in the development of these personal skills among the participants in the sample. For this study two universities have been chosen, Universidad a Distancia de Madrid (UDIMA) offering online training environment, and Universidad Politécnica de Madrid (UPM) with classroom training modality. A total of 257 individuals, 230 students and 27 teachers have answered the survey called Evalsoft. This instrument was designed in the project with the same name by a research team from Universidad Complutense of Madrid (UCM). Some interesting conclusions can be highlighted: it is in the online context where there are higher levels of commitment and teamwork than in the classroom modality; teachers have higher social skills that students and these improve with age. Sex and the training program appear to influence these social skills

THE COVID-19 AND THE STOCK MARKET BEHAVIOUR OF THE TOURISM SECTOR IN SPAIN.

The global pandemic caused by COVID-19, declared in March 2020, has had a dramatic impact on tourism, especially in Spain, as it was one of the first countries affected by the pandemic, as well as being one of the world’s biggest tourist destinations. Stock market values are responding to the evolution of the pandemic, especially in the case of tourist companies, so being able to quantify this relationship allows us to predict the effect of the pandemic on shares in the tourism sector, improving the response to the crisis. To this end, a model has been developed to predict the behaviour of shares in the Spanish tourism sector, according to the evolution of the COVID-19 pandemic in the medium term. It has been confirmed that both the number of deaths and the number of cases diagnosed are good predictors of abnormal stock prices in the tourism sector

Raman Activities of Cyano-Ester Quinoidal Oligothiophenes Reveal Their Diradical Character and the Proximity of the Low-Lying Double Exciton State

Quinoidal oligothiophenes have received considerable attention as interesting platforms with remarkable amphoteric redox behavior associated with their diradical character increasing with the conjugation lengths. In this work, we considered a family of quinoidal oligothiophenes bearing cyano-ester terminal groups and characterized them by UV-Vis-NIR absorption and Raman spectroscopy measurements at different excitation wavelengths. The experimental investigation is complemented by quantum-chemical studies to assess the quality of computed density functional theory (DFT) ground state structures and their influence on predicted Raman intensities. In addition, resonance conditions with the optically active HOMO→LUMO transition as well as with the more elusive state dominated by the doubly excited HOMO,HOMO→LUMO,LUMO configuration, are determined with DFT-MRCI calculations and their contributions to Raman activity enhancement are discussed in terms of computed vibrational Huang–Rhys (HR) factorsWe thank MINECO/FEDER of the Spanish Government (project reference PGC2018-098533-B-100) and the Junta de Andalucía, Spain (UMA18FEDERJA057). Partial funding for open access charge: Universidad de Málag

Assessing Creativity In Engineering Students: A Comparative Between Degrees and Sudents In First And Last Year

An online open access test (CREAX self-assessment) has been used in this work so that students from degrees in engineering in the Universidad Polite¿cnica of Madrid (UPM) could self-assess their creative competence after several classroom activities. Different groups from the first year course have been statistically compared using data from their assessment. These first year students had different professors in the subject ?Technical Drawing? and belonged to several degrees in the UPM. They were as well compared regarding sex and a group of first year students was also compared to another last year group of the degree so as to observe possible differences in the achievement of this competence. Only one difference was detected concerning sex in one of the degrees. Among degrees, the higher marks obtained by students who had done specific exercises for the development of creativity in class is highlighted. Finally, a significantly high mark was observed in students during their last year of degree with respect to first year students. The tool CREAX has become very useful in the assessment of this competence in the UPM degrees in which it has been implemented

Bases espectroscópicas de la relación estructura-carácter birradical-propiedad en sistemas proaromáticos pi-conjugados derivados de p-QDM

En esta comunicación se estudia, mediante diversos tipos de espectroscopias y haciendo hincapié en la espectroscopia Raman, el efecto que modificaciones estructurales como el aumento de la longitud de la cadena o la planarización del esqueleto pi-conjugado, tienen sobre la expresión del carácter birradical en el estado fundamental de nuevos derivados de p-QDM.Universidad de Málaga. Campus de Excelencia Internacional Andalucía Tech

A de novo complete BRCA1 gene deletion identified in a Spanish woman with early bilateral breast cancer

<p>Abstract</p> <p>Background</p> <p>Germline mutations in either of the two tumor-suppressor genes, <it>BRCA1 </it>and <it>BRCA2</it>, account for a significant proportion of hereditary breast and ovarian cancer cases. Most of these mutations consist of deletions, insertions, nonsense mutations, and splice variants, however an increasing number of large genomic rearrangements have been identified in these genes.</p> <p>Methods</p> <p>We analysed <it>BRCA1 </it>and <it>BRCA2 </it>genes by direct sequencing and MLPA. We confirmed the results by an alternative MLPA kit and characterized the <it>BRCA1 </it>deletion by Array CGH.</p> <p>Results</p> <p>We describe the first case of a patient with no strong family history of the disease who developed early-onset bilateral breast cancer with a <it>de novo </it>complete <it>BRCA1 </it>gene deletion in the germinal line. The detected deletion started from the region surrounding the <it>VAT1 </it><it>locus </it>to the beginning of <it>NBR1 </it>gene, including the <it>RND2</it>, Ψ<it>BRCA1</it>, <it>BRCA1 </it>and <it>NBR2 </it>complete genes.</p> <p>Conclusion</p> <p>This finding supports the large genomic rearrangement screening of <it>BRCA </it>genes in young breast cancer patients without family history, as well as in hereditary breast and ovarian cancer families previously tested negative for other variations.</p

Innovación Educativa en la E.T.S.I. en Topografía, Geodesia y Cartografía de Madrid.

El Plan de Convergencia Europeo con el acuerdo de la puesta en marcha del Espacio Europeo de Educación Superior para 2010, ha implicado a las Universidades españolas, y en particular a la UPM, en el desarrollo de planes estratégicos conducentes a la adecuación de sus enseñanzas y metodologías docentes a las directrices de dicho plan. Desde 2005 la UPM está realizando convocatorias de Proyectos de Innovación Educativa y ha aprobado la normativa para la creación de Grupos de Innovación Educativa (GIE). La ETSITGC de Madrid, con el apoyo de las direcciones del Departamento y Escuela, ha participado activamente desde el primer momento en estas iniciativas y cuenta en la actualidad con el grupo INNGEO (GIE consolidado). Hasta el curso actual se vienen desarrollando numerosos Proyectos de Innovación e Investigación Educativa tanto en el ámbito del Centro como en colaboración con otras iniciativas de la UPM y Universidades Latinoamericana