Vicente Martí Centelles


Rotaxane
  • An "Artificial Diels-Alderase" in action

    View video in Youtube
  • Conferencia "Química en el Medi Ambient i Salut" XXI Jornades Culturals de la Plana de l'Arc 2016

    View video in Youtube
  • Menció Honor XI Premi ciutat d'Algemesí 2015

    View video in Youtube
  • Vicente Martí Centelles PhD Thesis 3D Video 2012

    View video in Youtube
  • Video divulgativo detección de nitratos

    Vicente Martí Centelles Ver vídeo en Youtube
  • Vicente Marti Centelles

    Vicente Martí-Centelles tells to the journal Pan European Networks: Science & Technology about the development of a pioneering method in the evaluation of nitrate pollution - Pan European Networks: Science & Technology - June 2016

    Vicente Martí Centelles Read complete interview

Actual position and research interests

Vicente Martí Centelles is a postodoctoral researcher in the Lusby group at the University of Edinburgh. Currently he is a Postdoctoral Research Assistant at the Univ. of Edinburgh working in the design and synthesis of molecular machines and self-assembled host systems for molecular recognition and catalysis in the Lusby group. Dr. Martí discovered in his research the catalytic properties of the Pd2L4 capsules, and he developed experimental protocols and kinetic models to obtain quantitative thermodynamic data by means of data science programing.
This research resulted in a key publication J. Am. Chem. Soc. 2018, 140, 2862-2868. IF=13.86, being Dr. Martí the main contributor) reporting an artificial "Diels-Alderase" capsule overcoming the product inhibition paradigm and combining efficient turnover alongside enzyme-like hallmarks. Vicente is involved in the organization of the 3rd edition of the EaStCHEM Conference for Early-Career Researchers ECECR 2018 that will be held at the James Clerk Maxwell Building (JCMB)(King's Building Campus, University of Edinburgh) on Wednesday, 8th August 2018.

Vicente Martí Centelles research in supramolecular chemistry exceptional combination of skills: organic chemistry, supramolecular chemistry, and physical organic chemistry.

  • Vicente Martí Centelles Graphical Abstract Publications

    Vicente Martí Centelles - Graphical Abstract Publications

    Vicente Martí Centelles Publications

Dissemination of research results and outreach activities

Vicente Martí Centelles has participated in different press releases and journal/radio/video interviews for disseminating his research work targeting a broad audience.

  • Vicente Marti Centelles

    Vicente Martí-Centelles inteview Pan European Networks: Science&Technology.

    http://www.paneuropeannetworkspublications.com/ST19/#260 Pan European Networks: Science&Technology. June 2016 Read complete interview
  • An "Artificial Diels-Alderase" in action

    View video in Youtube
  • Dissemination of the the evaluation of nitrate pollution work

    Universitat Jaume I Science Videos Youtube video
  • Vicente Marti Centelles

    A method that selectively detects nitrates

    Levante de Castelló - 22/10/2015 Read complete article
  • Vicente Marti Centelles

    From the UJI to Oxford against water pollution

    Mediterraneo - 22/10/2015 Read complete article
  • Vicente Marti Centelles

    Radio interview about nitrate detection

    Radio Voramar esRadio 92.5 - 29/10/2015 Complete interview
  • Vicente Marti Centelles

    Radio interview about nitrate detection

    Finestra a la Ciència de Vox UJI Radio - 30/10/2015 Complete interview
  • Vicente Marti Centelles

    Nitrate detection - Blog Ciencia TV Universitat Jaume I

    Blog Ciencia TV Universitat Jaume I - 2015 Complete interview
  • Vicente Marti Centelles

    Nitrate detection - Universitat Jaume I web page

    Universitat Jaume I web page - 2015 Complete interview
  • Vicente Marti Centelles

    Organogelating compunds patent outreach activities

    Universitat Jaume I web page - 2011 Complete interview

International Chemistry Olympiad

Vicente Martí Centelles has participated in the Chemistry Olympiad over the last years. Dr. Martí's interest in Chemistry began early and in 2002 he obtained a gold medal in the Spanish National Olympiad and a silver medal in both the International Chemistry Olympiad (the highest distinction obtained by Spain in this prestigious competition) and Ibero-American Chemistry Olympiad.

    The participation in the Chemistry Olympiad includes:
  • Member of the Scientific Committee Univ. Jaume I Chemistry Olympiad (2009-13, and 2015).
  • Member of the scientific committee of the Spanish National Chemistry Olympiad. 2013 (Alicante), 2012 (Madrid), 2011 (Valencia), 2010 (Seville), 2009 (Avila).
  • Head Mentor (head of the Spanish delegation, 2015 Azerbaijan), Mentor (2011 Turkey, 2012 USA, and 2013 Russia) and scientific observer (2009 UK, 2010 Japan), collaborator in training (2008) of the Spanish delegation at the International Chemistry Olympiad (IChO).

  • IChO Spanish Team

    IChO Spanish Team

    Image
  • IChO 2015, Baku, Azerbaijan, Spanish Team

    IChO 2015, Baku, Azerbaijan, Spanish Team

    Image
  • IChO 2013, Moscu, Russia, Spanish Team

    IChO 2013, Moscu, Russia, Spanish Team

    Image
  • IChO 2012, Washington, USA, Spanish Team

    IChO 2012, Washington, USA, Spanish Team

    Image
  • IChO 2011, Ankara, Turkey, Spanish Team

    IChO 2011, Ankara, Turkey, Spanish Team

    Image
  • IChO 2010, Tokyo Japan, Spanish Team

    IChO 2010, Tokyo Japan, Spanish Team

    Image
  • IChO 2009, Oxford & Cambridge, UK, Spanish Team

    IChO 2009, Oxford & Cambridge, UK, Spanish Team

    Image
  • IChO 2002, Groningen, The Netherlands, Spanish Team

    IChO 2002, Groningen, The Netherlands, Spanish Team

    Image
  • IChO International Chemistry Olympiad Flag

    IChO International Chemistry Olympiad Flag

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  • Dosier de prensa de la Medalla de Plata en la Olimpiada Internacional de Química en 2002

    Press Dossier - Silver Medal at the International Chemistry Olympiad 2002

    Vicente Martí Centelles - IChO 2012 Complete press dossier
  • Discurs en l'acte d'entrega de premis de les olimpíades acadèmiques del curs 2010/2011 en la Universitat Jaume I

    Speech at the awards ceremony of the Science Olympiad 2010/2011 at Universitat Jaume I

    Vicente Martí Centelles - Universitat Jaume I Speech

ChemMend: Learning the periodic table with a card game

To know the Periodic Table is essential in the field of chemistry, but its memorisation is often tedious and complex for students. Vicente Martí Centelles and Jenifer Rubio Magnieto, alumni of Chemistry at the Universitat Jaume I, have developed a game for secondary school students and first years of university, and anyone interested in chemistry, to learn the group and period each chemical element belongs to in the Periodic Table in an easy, simple and funny way. Two years of work and experimentation in the classroom have resulted into ChemMend, a game that has been reported on the International Journal of Chemical Education.

ChemMend is the first existing game that allows exploring and gaining knowledge about the groups and periods of elements since; so far, existing games on the Periodic Table are focused on linking the different elements with their symbol. The gameplay is similar to the popular UNO, but this time is to follow the reference card with cards that correspond to the same group of elements or the same period, or to use one of the cards that act as a wildcard and which introduce different instructions as jumping a turn, draw cards from the deck, change direction, make a drawing, etc.
Card game to learn the Periodic Table Full Press release

www.facebook.com/ChemMend
J. Chem. Ed. 2014, 91, 868-871.
www.chemmend.uji.es

  • The Jaume I supports, through UJI Emprèn, the launch of the game to learn the Periodic Table, ChemMend 2015

    The Jaume I supports, through UJI Emprèn, the launch of the game to learn the Periodic Table, ChemMend

    Universitat Jaume I - 2015 News web page

Software

Development of Chemistry Software

I've developed useful software during PhD and postdocs. Some of this sofware will be available to download in due course or on request by e-mail.

If you are interested in using any of these contact me by e-mail and I can provide it or we can collaborate to implement it you your particular needs or to solve any particular challenge that you have in your research. For example, I have developed a wide variety of Advanced Kinetic Modelling code with R that allows simulating very complex reactions and perform multivariate fitting.

These sofware has been developed in the Python programming language (using the libraries: SciPy, Matplotlib and PIL Python Image Library) and R. Some of these programs had an user graphical interface (GUI) develped by using the GTK interface wit the aid of glade.

  • SEM batch image processing
  • Batch image processing to put all the images labeled into the same image and with the correct label
  • IR-ATR deconvolution and fitting
  • Advanced Kinetic Fitting with R
  • UV and CD script to batch process files
  • Advanced batch processing of xyz files to create Gaussian input files
  • Script to automatically represent a PES from a Gaussian calculation

All of these sofware is available to download free of charge with the GNU license. Any Suggestion to improve the software by adding new features or fixing bugs will be welcome.

High Quality Renders for Chemical Structures

Render with Blender

We can create high quality renders for our chemical models with Blender. To do this render first we need a pdb file of our molecule. I usually use gaussian to perform my calculantions and I use molden to view the output files. Then I export the molecule in Tinker xyz format. Then I convert the tinker xyz file to pdb wiht xyz2pdb ( the xyz2pdb-src-linux_bin-windows_bin.zip contains the source code (written in C) and binaries compided for linux and windows). To use xyz2pdb open a terminal in linux or the cmd in Windows and execute xyz2pdb -help to obtain a list of help:

$ ./xyz2pdb -help

Usage: ./xyz2pdb [<flags> with arguments, as follows]

 -o <PDB file name>        default is <stdout>
 -xyzfile <XYZ file name>  default is <stdin>
 -debug <level>            0 to 9 [0]
 -backbone                 output backbone only
 -noh                      don't output hydrogen atoms
 -noh2o                    don't output water molecules
 -nourea                   don't output urea molecules
 -usebond                  derive bond info from input file only
 -help                     print this information

Therefore to convert our xyz file we must use:

$ ./xyz2pdb -xyzfile myfile.xyz -o myfile.pdb

Then we will import this pdb file into Blender with pdb2blender.py, this python script is already in a blender file, pdb2blend12.blend. To use the script open the file pdb2blend12.blend in blender, then in the left window right click and execute script, setup the parameters to import and click on Import button to select the pdb file.

Now we can play with blender and modify the properties of the materials, add some reflections... (you can try with this files: ts-tinker.xyz, ts.pdb).

Useful software for Computational Chemistry

I've made a list with some useful programs to me: (under construction)

Molden,
Molekel,
jmol
VMD,
Gabedit
Chimera, http://www.cgl.ucsf.edu/chimera/
ArgusLab
Ghemical
Viewmol
GaussSum
Macromodel
Spartan
Gauss View
Gaussian

Altrivia - The Alchemist's Trivia

Altrivia is a chemistry quiz game with six different categories designed for one to six players. To become an Alchemist you have to answer correctly one question of each category. The level of the questions is random, so both easy and difficult questions may appear.

Altrivia - The Alchemist's Trivia

Download Altrivia Leaflet

The license of the game is the GNU GENERAL PUBLIC LICENSE , Version 3, 29 June 2007. The game Trivial of Chemistry is based on the freevial game (https://launchpad.net/freevial).

You can contribute to develop the program, or just play and enjoy it. If you find a bug or an incorrect question, please feel free to email us ( altrivia@gmail.com )

Altrivia - The Alchemist's Trivia Altrivia - The Alchemist's TriviaAltrivia - The Alchemist's Trivia 

Download and Installation

The program can be downloaded for free of charge (GNU GENERAL PUBLIC LICENSE) from http://altrivia.uji.es/

The program runs on Windows XP/Vista and in any Linux distribution. In the Alchimia web page you will find two links to download the ins

taler for Windows XP/Vista and the source code and installer for Linux.

Download Altrivia installer for Windows XP/Vista v 2.0 (~45MB)

To install the program in Windows XP/Vista, download the Windows installer and follow the instructions. An icon will be created on the desktop. To run Altrivia, double click on this icon and select the language (es: Spanish, en: English) and 1 to full screen or 0 to normal window). By clicking F1 in the game the help window will appear.


Download source code and installer for Linux of Altrivia v 2.0 (~45MB)

To install the program in Linux dowload the Linux installer. Decompress this file and run with root permissions: ./install.sh. To start Alchimia run in the terminal freevial --lang es –fullscreen. Then, choose the language (es: Spanish, en: English) in the –lang option. Click F1 to start the help window. You will need to install python-lxml , python-pygame and python-numpy. E.g. in Ubuntu, run in the terminal:

sudo apt-get install python-lxml

sudo apt-get install python-pygame

sudo apt-get install python-numpy

  • Vicente Martí Centelles / Marta Enciso Carrasco Altrivia - The Alchemist's Trivia

    Marta Enciso Carrasco and Vicente Martí Centelles, creators of Altrivia - The Alchemist's Trivia

    Altrivia - The Alchemist's Trivia http://altrivia.uji.es

Some participation in conferences

Jornadas de coordinación docente secundaria-universidad en los ámbitos de la física y la química

Vicente Martí Centelles, Jornadas de física y química de la Universitat Jaume I de Castellón

I Jornadas de coordinación docente secundaria-universidad en los ámbitos de la física y la química 

La física y la química han repercutido enormemente en importantes avances científicos y tecnológicos. Logros como la obtención de nuevos materiales, el diseño de fármacos o la síntesis de catalizadores, han hecho posible la mejora del estado de bienestar de la sociedad, la inversión estratégica en el desarrollo y la competitividad investigadora entre países. La educación, tanto secundaria como universitaria, juega un papel crucial en la consecución de estos avances, dado que los estudiantes adquieren los conocimientos y aspiraciones científicas necesarias para definirse como futuros investigadores y profesionales.

En este sentido, la mejora del aprendizaje y del dominio de competencias en física y química constituye un importante reto en los sistemas educativos europeos, pues repercute en la actual sociedad que basa su economía en el conocimiento.

Conscientes del desafío que encierra el incremento de la calidad del aprendizaje en estas disciplinas, hemos planteado un encuentro entre el profesorado de secundaria y el universitario en estas jornadas con el fin de analizar la situación actual en la provincia de Castellón bajo la perspectiva de los actuales retos de conocimiento y profesionales.

Los interesados en presentar comunicaciones deberán remitir antes del 4 de marzo de 2009 un resumen de su propuesta con una extensión máxima de dos páginas según el modelo indicado en la página web ( http://jornadasfq.uji.es ) a la siguiente dirección
electrónica: jornadasfq@gmail.com

La charla que di en las Jornadas de Física y Química de la UJI. http://jornadasfq.uji.es

Ver la presentación  “Introducción a la síntesis química. Prácticas de laboratorio para secundaria” de Vicente Martí Centelles en formato powerpoint.

Para ver las otras presentaciones ir a esta web.


Congreso de Jóvenes Investigadores Sigma-Aldrich 2008 Santiago de Compostela

Vicente Marti Centelles


3D Modelling: Making cars and tracks for TORCS

TORCS Car Setup Editor v0.11

Torcs Car Setup Editor is an Open Source program with the GNU GENERAL PUBLIC LICENSE designed to edit the physics of cars for TORCS (The Open Racing Car Simulator).

This new version is already compiled for linux and windows. And it contains a linux installer (sudo ./install.sh and run the torcs-car-setup-editor from the terminal with tcse). More information is in the documentation of the program that you will found wen you download it.

The downloads for Torcs Car Setup Editor v0.11 are

tcse in ubuntu

 Download Torcs Car Setup Editor v0.11 source code compiled in linux and windows. It also contains a linux installer.

Download Torcs Car Setup Editor v0.11 Windows Installer


Now to install the program is easier:

In linux: in a console window

sudo ./install.sh


the program is installed in: /usr/local/share/games/torcs/tcse

to run torcs-car-setup-editor: in the terminal just type: tcse

In windows: run the installer and then select the folder where is
torcs installed (by default C:\Program Files\torcs) and tcse will be installed
and a desktop shortcut will be created.

f1-torcs-2 car for torcs made with blender by Vicente Martí Centelles

Torcs Car Setup Editor is an Open Source program with the GNU GENERAL PUBLIC LICENSE designed to edit the physics of cars for TORCS (The Open Racing Car Simulator)


Torcs: The Open Racing Cars Simulator

Cars for TORCS

In this section you can download several cars for TORCS and Speed Dreams made with blender and under de GPL license.

To install in linux and windows you will only need to unzip and copy the files to your torcs installation directory (detailed instructions in the zip file)

TuxKart for torcs


Downoload TuxKart and drivers for TORCS

This download contains.
TuxKart (from SuperTuxKart)
Clone of Olethros Driver for this car (10 Karts) already compiled for linux and windows.
Installation instructions
f1-torcs-2 car for torcs made with blender by Vicente Martí Centelles
available to download soon
f1-torcs car for torcs made with blender by Vicente Martí Centellesavailable to download soon

Download the car formula-torcs.

This Open wheel car model (f1) has 771 cv at 1600rpm. You can edit the phisics by using the TORCS car setup editor.

Formula 1 cars and Trakcs into TORCS

An screen-shot of f1 cars into blender My gp4 car rendered into blender

We can m odify every thing: cars, tracks, phisics of the cars

An screen-shot of f1 cars into blender(engine, suspen sions, gears,...) in few minutes. TORCS have a version for Windows and for linux.

Go to Torcs Section of my home page.

Renders of gp4 cars with Blender

In this tutorial I explain how to make a render of a gp4 car (from the .gp4 files) with the open source (and free, of course) 3D design program blender:  Blender Tutorial

Formula 1 cars and Trakcs into TORCS

TORCS (The Open Racing Car Simulator) is the best game to edit and modify that exists.
We can modify every thing: cars, tracks, phisics of the cars (engine, suspensions, gears,...) in few minutes. TORCS have a version for Windows and for linux.

An screen-shot of f1 cars into blender An screen-shot of f1 cars into blender


Renders of gp4 cars with Blender

In this tutorial I explain how to make a render of a gp4 car (from the .gp4 files) with the open source (and free, of course) 3D design program blender:  Blender Tutorial

My gp4 car rendered into blender

Crea tu volante y pedales para el ordenador

Volante

Hace un tiempo empecé a construir un volante para el ordenador, ahora he decidido explicar como lo hice en esta web.  Ir pagina volante

Volante Pedales Volante Cosntruye tu volante de formula 1

Web original

Esta es la web original.

En esta pagina hay varios estilos disponibles que pueden ser visualizados con mozilla firefox: Ver -> Estilo de Página y seleccionar el estilo.





Vicente Marti Centelles
Esta es mi página personal donde voy colgando algunas cosas que voy haciendo en mis ratos libres.
email Vicente Martí Centelles

Vicente Martí Centelles

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