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Technological oportunities projects developement

  • Solé Parellada, Francesc
Els investigadors tenen bones idees per a dur a la pràctica, però no acostumen a tenir coneixement de pràctiques empresarials, i de com convertir la idea en producte atractiu comercialment. Els sèniors, que tenen major potencial per apreciar les possibilitats empresarials són poc inclinats a embarcar-se en nous projectes i acostumen a tenir manca de visió empresarial, i el joves, no tenen l’experiència ni els recursos per a afrontar dificultats que puguin sortir. Aprofitant que dins de l’activitat acadèmica de la UPC es comprèn la docència, l’estudi, la recerca i la transferència dels resultats de recerca, el projecte TOP: “Technological Opportunities Projects Development” ha servit per recollir la ja amplia experiència del Programa Innova en aquest àmbit i posar-la al servei de la creació de noves assignatures i l’adopció progressiva de les millors pràctiques a les ja existents. La metodologia proposada pel Programa Innova per a les assignatures de Creació d’empreses ha introduït un element que li dona especial valor: un lligam entre la docència i els projectes d’investigació dels professors del propi centre docent. Es tracta d’una eina pedagògica que, a més de formar els alumnes per a l’elaboració d’un pla d’empresa, basada en les oportunitats tecnològiques creades als grups de recerca, té com objectiu l’establiment d’un nexe d’unió entre la docència i la recerca. En resum, pretén detectar oportunitats tecnològiques a la UPC i transferir-les.
Proyecto:


Bluebots: proyectos fin de carrera con robots controlados mediante Bluetooth

  • Ribas Xirgo, Lluís
El desarrollo de aplicaciones con robots implica a la mayoría de áreas de conocimiento de la informática y es un elemento motivador para los alumnos de estos estudios. En este artículo se presenta la experiencia iniciada en el curso 05/06 de plantear un proyecto marco en el que realizar trabajos de fin de carrera relacionados con robots en las Ingenierías Técnicas en Informática de Gestión y de Sistemas. Se trabaja en grupo y cada alumno elige aquello que más le interesa dentro de las propuestas de cada curso. Aunque los profesores sólo deberían actuar como directores y, en todo caso, coordinadores de grupo, la experiencia acumulada en los cursos anteriores indica que es conveniente que actúen también como promotores de actividades para los alumnos., Peer Reviewed
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Omnidirectional underwater surveying and telepresence

  • Estrela Gracias, Nuno Ricardo
  • Garcia Campos, Rafael
  • Campos Dausà, Ricard
  • Prados Gutiérrez, Ricard
  • Bosch Alay, Josep
  • Elibol, Armagan
  • Nicosevici, Tudor
  • Neumann, Laszlo
  • Quintana Plana, Josep
Exploratory dives are traditionally the first step for marine scientists to acquire information on a previously unknown area of scientific interest. Manned submersibles have been the platform of choice for such exploration, as they allow a high level of environmental perception by the scientist on-board, and the ability to take informed decisions on what to explore next. However, manned submersibles have extremely high operation costs and provide very limited bottom time. Remotely operated vehicles (ROVs) can partially address these two issues, but have operational and cost constraints that restrict their usage. This paper discusses new capabilities to assist scientists operating lightweight hybrid remotely operated vehicles (HROV) in exploratory missions of mapping and surveying. The new capabilities, under development within the Spanish National project OMNIUS, provide a new layer of autonomy for HROVs by exploring three key concepts: Omni-directional optical sensing for collaborative immersive exploration, Proximity safety awareness and Online mapping during mission time., Peer Reviewed
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Modelling flexible thrust performance for trajectory prediction applications in ATM

  • Matamoros Cid, Ismael
  • Prats Menéndez, Xavier
  • López Leonés, Javier
  • Casado, Enrique
  • Vilaplana, Miguel
  • Mouillet, Vincent
  • Nuic, Angela
  • Cavadini, Laurent
Reduced thrust operations are of widespread use nowadays due to their inherit benefits for engine conservation. Therefore, in order to enable realistic simulation of air traffic management (ATM) scenarios for purposes such as noise and emissions assessment, a model for reduced thrust is required. This paper proposes a methodology for modelling flexible thrust by combining an assumed temperature (AT) polynomial model identified from manufacturer take-off performance data and public thrust models taken from typical ATM performance databases. The advantage of the proposed AT model is that it only depends on the take-off conditions —runway length, airport altitude, temperature, wind, etc. The results derived from this methodology were compared to simulation data obtained from manufacturer’s take-off performance tools and databases. This comparison revealed that the polynomial model provides AT estimations with sufficient accuracy for their use in ATM simulation. The Base of Aircraft Data (BADA) and the Aircraft Noise and Performance (ANP) database were chosen as representative of aircraft performance models commonly used in ATM simulation. It was observed that there is no significant degradation of the overall accuracy of their thrust models when using AT, while there is a correct capture of the corresponding thrust reduction., Peer Reviewed
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New insights into the stereochemical requirements of the bradykinin B1 receptor antagonist binding

  • Pérez González, Juan Jesús
  • Lupala, Cecylia Severin
  • Gomez-Gutierrez, Patricia
Bradykinin (BK) is a nonapeptide involved in several pathophysiological conditions including among others, septic and haemorrhagic shock, anaphylaxis, arthritis, rhinitis, asthma, inflammatory bowel disease. Accordingly, BK antagonists have long been sought after for therapeutic intervention. Action of BK is mediated through two different G-protein coupled receptors known as B1 and B2. Although there are several B1 antagonists reported in literature, their pharmacological profile is not yet optimal so that new molecules need to be discovered. In the present work we have constructed an atomistic model of the B1 receptor and docked diverse available non-peptide antagonists in order to get a deeper insight into the structure-activity relationships involving binding to this receptor. The model was constructed by homology modelling using the chemokine CXC4 and bovine rhodopsin receptors as template. The model was further refined using molecular dynamics for 600 ns with the protein embedded in a POPC bilayer. From the refinement process we obtained an average structure that was used for docking studies using the Glide software. Antagonists selected for the docking studies include Compound 11, Compound 12, Chroman28, SSR240612, NPV-SAA164 and PS020990. The results of the docking study underline the role of specific receptor residues in ligand binding. The results of this study permitted to define a pharmacophore that describes the stereochemical requirements of antagonist binding, and can be used for the discovery of new compounds., Peer Reviewed
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UO2 surface oxidation by mixtures of water vapor and hydrogen as a function of temperature

  • Espriu Gascon, Alexandra
  • Llorca Piqué, Jordi
  • Domínguez Escalante, Montserrat
  • Giménez Izquierdo, Francisco Javier
  • Casas Pons, Ignasi
  • Pablo Ribas, Joan de
In the present work, X-Ray Photoelectron Spectroscopy (XPS) was used to study the effect of water vapor on the UO2 surface as a function of temperature. The experiments were performed in situ inside a high pressure chamber attached to the XPS instrument. UO2 samples were put in contact with either hydrogen or argon streams, saturated with water at room temperature, and the sample surface evolution was analyzed by XPS. In the case of the water vapor/argon experiments, one experiment at 350°C was performed and, in the case of the water vapor/hydrogen experiments, the temperatures used inside the reactor were 60, 120, 200 and 350°C. On one hand, in presence of argon, the results obtained showed that the water vapor in the argon stream oxidized 93% of the U(IV) in the sample surface. On the other hand, the degree of UO2 surface oxidation showed a different dependence on the temperature in the experiments performed in the presence of hydrogen: the maximum surface oxidation occurred at 120°C, where 65.4% of U(IV) in the sample surface was oxidized, while at higher temperatures, the surface oxidation decreased. This observation is attributed to the increase of hydrogen reducing effect when temperature increases which prevents part of the oxidation of the UO2 surface by the water vapor., Peer Reviewed
Proyecto:


Leak localization in water distribution networks using model-based bayesian reasoning

  • Soldevila Coma, Adrià
  • Fernández Canti, Rosa M.
  • Blesa Izquierdo, Joaquim
  • Tornil Sin, Sebastián
  • Puig Cayuela, Vicenç
This paper presents a new method for leak localization in Water Distribution Networks that uses a model-based approach combined with Bayesian reasoning. Probability density functions in model-based pressure residuals are calibrated off-line for all the possible leak scenarios by using a hydraulic simulator, being leak size uncertainty, demand uncertainty and sensor noise considered. A Bayesian reasoning is applied online to the available residuals to determine the location of leaks present in the Water Distribution Network. A time horizon method combined with the Bayesian reasoning is also proposed to improve the accuracy of the leak localization method. The Hanoi District Metered Area case study is used to illustrate the performance of the proposed approach., Peer Reviewed
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Blind prediction of interfacial water positions in CAPRI

  • Lensink, Marc F.
  • Moal, Iain H.
  • Bates, Paul A.
  • Kastritis, Panagiotis L.
  • Melquiond, Adrien S.J.
  • Karaca, Ezgi
  • Schmitz, Christophe
  • van Dijk, Marc
  • Bonvin, Alexandre M.J.J.
  • Eisenstein, Miriam
  • Jiménez-Garcia, Brian
  • Grosdidier, Solène
  • Solernou, Albert
  • Pérez-Cano, Laura
  • Pallara, Chiara
  • Fernández-Recio, Juan
  • Xu, Jianqing
  • Muthu, Pravin
  • Kilambi, Krishna P.
  • Gray, Jeffrey J.
  • Grudinin, Sergei
  • Derevyanko, Georgy
  • Mitchell, Julie C.
  • Wieting, John
  • Kanamori, Eiji
  • Tsuchiya, Yuko
  • Murakami, Yoichi
  • Sarmiento, Joy
  • Standley, Daron M.
  • Shirota, Matsuyuki
  • Kinoshita, Kengo
  • Nakamura, Haruki
  • Chavent, Matthieu
  • Ritchie, David W.
  • Park, Hahnbeom
  • Ko, Junsu
  • Lee, Hasup
  • Seok, Chaok
  • Shen, Yang
  • Kozakov, Dima
  • Vajda, Sandor
  • Kundrotas, Petras J.
  • Vakser, Ilya A.
  • Pierce, Brian G.
  • Hwang, Howook
  • Vreven, Thom
  • Weng, Zhiping
  • Buch, Idit
  • Farkash, Efrat
  • Wolfson, Haim J.
  • Zacharias, Martin
  • Qin, Sanbo
  • Zhou, Huan-Xiang
  • Huang, Shen-You
  • Zou, Xiaoqin
  • Wojdyla, Justyna A.
  • Kleanthous, Colin
  • Wodak, Shoshana J.
This is the peer reviewed version of the following article: [Lensink, M. F., Moal, I. H., Bates, P. A., Kastritis, P. L., Melquiond, A. S. J., Karaca, E., Schmitz, C., van Dijk, M., Bonvin, A. M. J. J., Eisenstein, M., Jiménez-García, B., Grosdidier, S., Solernou, A., Pérez-Cano, L., Pallara, C., Fernández-Recio, J., Xu, J., Muthu, P., Praneeth Kilambi, K., Gray, J. J., Grudinin, S., Derevyanko, G., Mitchell, J. C., Wieting, J., Kanamori, E., Tsuchiya, Y., Murakami, Y., Sarmiento, J., Standley, D. M., Shirota, M., Kinoshita, K., Nakamura, H., Chavent, M., Ritchie, D. W., Park, H., Ko, J., Lee, H., Seok, C., Shen, Y., Kozakov, D., Vajda, S., Kundrotas, P. J., Vakser, I. A., Pierce, B. G., Hwang, H., Vreven, T., Weng, Z., Buch, I., Farkash, E., Wolfson, H. J., Zacharias, M., Qin, S., Zhou, H.-X., Huang, S.-Y., Zou, X., Wojdyla, J. A., Kleanthous, C. and Wodak, S. J. (2014), Blind prediction of interfacial water positions in CAPRI. Proteins, 82: 620–632. doi:10.1002/prot.24439], which has been published in final form at [Link to final article using the 10.1002/prot.24439]. This article may be used for non-commercial purposes in accordance with Wiley Terms and Conditions for Self-Archiving., We report the first assessment of blind predictions of water positions at protein–protein interfaces, performed as part of the critical assessment of predicted interactions (CAPRI) community-wide experiment. Groups submitting docking predictions for the complex of the DNase domain of colicin E2 and Im2 immunity protein (CAPRI Target 47), were invited to predict the positions of interfacial water molecules using the method of their choice. The predictions—20 groups submitted a total of 195 models—were assessed by measuring the recall fraction of water-mediated protein contacts. Of the 176 high- or medium-quality docking models—a very good docking performance per se—only 44% had a recall fraction above 0.3, and a mere 6% above 0.5. The actual water positions were in general predicted to an accuracy level no better than 1.5 A °, and even in good models about half of the contacts represented false positives. This notwithstanding, three hotspot interface water positions were quite well predicted, and so was one of the water positions that is believed to stabilize the loop that confers specificity in these complexes. Overall the best interface water predictions was achieved by groups that also produced highquality docking models, indicating that accurate modelling of the protein portion is a determinant factor. The use of established molecular mechanics force fields, coupled to sampling and optimization procedures also seemed to confer an advantage. Insights gained from this analysis should help improve the prediction of protein–water interactions and their role in stabilizing protein complexes., The Canadian Institutes for Health Research is gratefully acknowledged for support to SJW. MFL acknowledges financial support from the French Agence Nationale de Recherche (grant ANR-12-BSV5-0009-01, Fluctuations in Structured Coulomb Fluids). (Vakser): IAV and PJK are supported by NIH grant R01GM074255. CK acknowledges support for this work from the BBSRC (grant GG/G020671/1)., Peer Reviewed
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