Ponències/Comunicacions de congressos
http://hdl.handle.net/2117/5806
2024-03-28T10:59:39ZA well-tempered metadynamics study on free energy landscapes of melatonin bound to DMPC-cholesterol bilayers
http://hdl.handle.net/2117/336925
A well-tempered metadynamics study on free energy landscapes of melatonin bound to DMPC-cholesterol bilayers
Lu, Huixia; Martí Rabassa, Jordi
Small molecules, such as melatonin (MEL, C 13 H 16 N 2 O 2 ),are essential compo-
nents in biological environments. MEL’s main applications are: (1) helping
to control brain function; (2) immunotherapeutic potential in both viral and
bacterial infections; (3) helps humans to the regulation of biological rhythms
and to induce sleep; (4) it works as a strong antioxidant and (5) it contributes
to the protection of the organism from carcinogenesis and neurodegenerative
disorders (Alzheimer’s disease). A glance on free energy landscape (FES)
of MEL adsorbed in DMPC-cholesterol bilayers inside ionic aqueous solution
from metadynamics simulations could allow us to evaluate the size of free en-
ergy barriers between the variety of stable states of systems we studied.
2021-02-04T14:43:51ZLu, HuixiaMartí Rabassa, JordiSmall molecules, such as melatonin (MEL, C 13 H 16 N 2 O 2 ),are essential compo-
nents in biological environments. MEL’s main applications are: (1) helping
to control brain function; (2) immunotherapeutic potential in both viral and
bacterial infections; (3) helps humans to the regulation of biological rhythms
and to induce sleep; (4) it works as a strong antioxidant and (5) it contributes
to the protection of the organism from carcinogenesis and neurodegenerative
disorders (Alzheimer’s disease). A glance on free energy landscape (FES)
of MEL adsorbed in DMPC-cholesterol bilayers inside ionic aqueous solution
from metadynamics simulations could allow us to evaluate the size of free en-
ergy barriers between the variety of stable states of systems we studied.Development of a standardized tool to calculate carbon footprint in ports
http://hdl.handle.net/2117/329140
Development of a standardized tool to calculate carbon footprint in ports
Azarkamand, Sahar; Ferré Porta, Guillem; Darbra Roman, Rosa Maria
Ports are essential contributors of a country’s economy. One of the significant environmental threats in ports is Climate Change due to carbon dioxide emissions generated by different activities in these areas. In the recent years many ports have started to calculate their Carbon Footprint and report it. However, generally each Authority or Operator uses its own method which makes the comparison of results very difficult. There is no single or unified method to calculate Carbon Footprint in ports. Therefore, the aim of this paper is to present the development of a practicable, user-friendly and free available tool with a standardized method for the calculation of Carbon Footprint in ports. This has been demanded by the port sector in different occasions (e.g. Greenport, 2018). The tool provides options to select the scopes that are more suitable and applicable to each port. In addition, the tool allows normalizing (standardize to a common ground) the total annual emissions in terms of total tons of cargo handled or annual TEUs. This is basically done to allow a comparison of the results of different ports on the same ground. The completion of this excel based tool is expected to be around 20 minutes (if data are available) and it is divided into three steps:
- Step1: General data such as the port’s name, the country and the port total cargo are required.
- Step 2: The port should select the different scopes to be included in the calculation and the required data should be filled in order to get the final result.
- Step 3: By pressing the result button, a report is produced with the total CO2 equivalent emissions and also with emissions by capacity (Carbon Footprint) and by scope. This document can be saved as a pdf file.
2020-09-22T15:21:00ZAzarkamand, SaharFerré Porta, GuillemDarbra Roman, Rosa MariaPorts are essential contributors of a country’s economy. One of the significant environmental threats in ports is Climate Change due to carbon dioxide emissions generated by different activities in these areas. In the recent years many ports have started to calculate their Carbon Footprint and report it. However, generally each Authority or Operator uses its own method which makes the comparison of results very difficult. There is no single or unified method to calculate Carbon Footprint in ports. Therefore, the aim of this paper is to present the development of a practicable, user-friendly and free available tool with a standardized method for the calculation of Carbon Footprint in ports. This has been demanded by the port sector in different occasions (e.g. Greenport, 2018). The tool provides options to select the scopes that are more suitable and applicable to each port. In addition, the tool allows normalizing (standardize to a common ground) the total annual emissions in terms of total tons of cargo handled or annual TEUs. This is basically done to allow a comparison of the results of different ports on the same ground. The completion of this excel based tool is expected to be around 20 minutes (if data are available) and it is divided into three steps:
- Step1: General data such as the port’s name, the country and the port total cargo are required.
- Step 2: The port should select the different scopes to be included in the calculation and the required data should be filled in order to get the final result.
- Step 3: By pressing the result button, a report is produced with the total CO2 equivalent emissions and also with emissions by capacity (Carbon Footprint) and by scope. This document can be saved as a pdf file.Una propuesta de mentoría académica entre iguales para el Grado en Ingeniería Informática
http://hdl.handle.net/2117/166389
Una propuesta de mentoría académica entre iguales para el Grado en Ingeniería Informática
Abad Soriano, María Teresa; Sesé Castel, Gemma; Fernández Ruzafa, José
En este trabajo presentamos la organización y desarrollo de un programa de mentoría académica entre iguales, Aula Lliure, y algunos de sus resultados, por el momento todavía escasos pero prometedores. Inspirado en el programa del mismo nombre de la Escuela de Ingenieros Industriales de nuestra universidad, el proyecto forma parte de un programa integral de acción tutorial dirigido, fundamentalmente, a los estudiantes de primero del Grado en Ingeniería Informática. En la puesta en marcha del proyecto han intervenido estudiantes voluntarios de cursos superiores, el equipo directivo y los servicios informáticos del centro, así como los profesores coordinadores de las distintas asignaturas impartidas. Como hemos constatado en los resultados de las encuestas realizadas, la experiencia está resultando positiva para los estudiantes que ejercen por primera vez de docentes frente a sus iguales y para los que son mentorizados. Finalmente, presentamos el análisis de los resultados obtenidos en seis asignaturas impartidas durante los cursos académicos 17/18 y 18/19.; In this paper, we summarize the organization and
development of an academic mentoring program
among equals, Aula Lliure, and some of its results, at
the moment still scarce but promising. Inspired by its
namesake, still running at the Barcelona School of
Industrial Engineering of our university, the project is
part of a comprehensive program of tutorial action
aimed, fundamentally, at first year students at the
Barcelona School of Informatics. Second-year and
beyond volunteer students, the management team and
the computer services of the center, as well as the
coordinating professors of the taught subjects, have
participated in the project. As confirmed by the surveys that have been carried out, the experience is
proving positive both for the students who practice
for the first time as teachers in front of their peers,
and for those who are mentored. Finally, we analyze
the results obtained for six subjects mentored during
the academic years 17/18 and 18/19.
2019-07-18T06:58:04ZAbad Soriano, María TeresaSesé Castel, GemmaFernández Ruzafa, JoséEn este trabajo presentamos la organización y desarrollo de un programa de mentoría académica entre iguales, Aula Lliure, y algunos de sus resultados, por el momento todavía escasos pero prometedores. Inspirado en el programa del mismo nombre de la Escuela de Ingenieros Industriales de nuestra universidad, el proyecto forma parte de un programa integral de acción tutorial dirigido, fundamentalmente, a los estudiantes de primero del Grado en Ingeniería Informática. En la puesta en marcha del proyecto han intervenido estudiantes voluntarios de cursos superiores, el equipo directivo y los servicios informáticos del centro, así como los profesores coordinadores de las distintas asignaturas impartidas. Como hemos constatado en los resultados de las encuestas realizadas, la experiencia está resultando positiva para los estudiantes que ejercen por primera vez de docentes frente a sus iguales y para los que son mentorizados. Finalmente, presentamos el análisis de los resultados obtenidos en seis asignaturas impartidas durante los cursos académicos 17/18 y 18/19.
In this paper, we summarize the organization and
development of an academic mentoring program
among equals, Aula Lliure, and some of its results, at
the moment still scarce but promising. Inspired by its
namesake, still running at the Barcelona School of
Industrial Engineering of our university, the project is
part of a comprehensive program of tutorial action
aimed, fundamentally, at first year students at the
Barcelona School of Informatics. Second-year and
beyond volunteer students, the management team and
the computer services of the center, as well as the
coordinating professors of the taught subjects, have
participated in the project. As confirmed by the surveys that have been carried out, the experience is
proving positive both for the students who practice
for the first time as teachers in front of their peers,
and for those who are mentored. Finally, we analyze
the results obtained for six subjects mentored during
the academic years 17/18 and 18/19.Stopping criteria in contrastive divergence: Alternatives to the reconstruction error
http://hdl.handle.net/2117/26625
Stopping criteria in contrastive divergence: Alternatives to the reconstruction error
Buchaca Prats, David; Romero Merino, Enrique; Mazzanti Castrillejo, Fernando Pablo; Delgado Pin, Jordi
Restricted Boltzmann Machines (RBMs) are general unsupervised learning devices to ascertain generative models of data distributions.
RBMs are often trained using the Contrastive Divergence learning algorithm (CD), an approximation to the gradient of the data log-likelihood.
A simple reconstruction error is often used to decide whether the approximation provided by the CD algorithm is good enough, though several authors (Schulz et al., 2010; Fischer & Igel, 2010) have raised doubts concerning the feasibility of this procedure. However, not many alternatives to the reconstruction error have been used in the literature. In this manuscript we investigate simple alternatives to the reconstruction error in order to detect as soon as possible the decrease in the log-likelihood during learning.
2015-03-09T12:28:53ZBuchaca Prats, DavidRomero Merino, EnriqueMazzanti Castrillejo, Fernando PabloDelgado Pin, JordiRestricted Boltzmann Machines (RBMs) are general unsupervised learning devices to ascertain generative models of data distributions.
RBMs are often trained using the Contrastive Divergence learning algorithm (CD), an approximation to the gradient of the data log-likelihood.
A simple reconstruction error is often used to decide whether the approximation provided by the CD algorithm is good enough, though several authors (Schulz et al., 2010; Fischer & Igel, 2010) have raised doubts concerning the feasibility of this procedure. However, not many alternatives to the reconstruction error have been used in the literature. In this manuscript we investigate simple alternatives to the reconstruction error in order to detect as soon as possible the decrease in the log-likelihood during learning.