The IUPAC is putting together a definition for hydrogen bond that can include experimental and theoretical results. You can find the IUPAC’s conclusion to this interesting debate here.

In a recent book review in Science of the book “From Populations to Ecosystems” by Michel Loreau, Tadashi Fukami emphasizes the message from the publication: the unfeasibility (and undesirability) to find a unified theory for ecology. Instead, he argues that it is a much better approach to deal with multilayer information, trying to find the links between different levels of organization.
Such problem arises also in other disciplines dealing with multiscale simulations. The unability of finding a unified model for a complete biological problem, for example, from the molecule to the organism, relies not in the difficulty of the mathematical approaches to be merged, but in the obvious difference in scales one faces. Thus, it is well known that it is by no means justified to include short time and small scale details that are not going to affect long time and big scale events, and applied mathematics is able to handle with the different problems by, let’s say, using stochastic to deterministic approaches. A solution in these cases is typically identifying those parameters for the large scale modelling that can be obtained aside from more detailed scale simulations.
Now that it seems that philosophy is menaced by our increasing knowledge of Nature (from the origin of the universe to the birth of conscience in our brain), scientists are falling in the danger to solely look at finding unified visions, while not realizing the power of applying what is already known has on our daily life. Finding a good combination of planning big answers to big questions while touching the ground and integrating what is already around us is the challenge for science in this next years. And multiscale simulations are in their way in many disciplines.

November 20th 2010 is the deadline for applications to the international PhD program of the Adam Mickiewicz University, in Poznan. The program awards ten PhD students to enter in a collaborative PhD between a PI of the polish university and a foreign institution. One of the selected projects is a joint initiative between the lab of Janusz Bujnicki in Poland and the CBBL in Barcelona.

Project 6. New computational methods for simulations of RNA folding and energy profiling.

We are looking for outstanding candidates to fill this postion for such an exciting initiative. Click the link above for details of how to apply.

Diario Médico, a publication for health care professionals in Spain, publishes a note on the 2nd VPH NoE Study group that was held in Barcelona during the week October 4th-8th 2010.

Sometimes scientists move from the snicky use of referee reports to kill others ideas into open discussions on the origin or complexity of life.

This is one of these weird situations, and a worth participating poll. You may easily infer my opinion…

Aaron Clauset comments on the article in his blog. I am glad to see he shares our view but what he does not know (because the history of a paper is never clearly realized in its final published form) is that the article was send for the first time during the spring 2008. It’s been a looong way until somebody else realized the paper gave a comprehensive view of the (at that time!) current data and accepted the paper for publication. Are we facing some sectarism in science? I (naively) used to think NO, but sometimes one does not know what to believe…

[bibtex file=jordi.bib key=Garcia2010]

• “La simulación multiescala, útil para predecir cardiotoxicidad”, Diario Médico, 12/10/2010
• “La Medicina del futur”, Programa Angles, TV Hospitalet, 12/10/2010
• “El projecte Activa inicia els seus estudis clínics sobre fibrosi quística”, UPF e-noticies, 04/03/2010
• “ActivA, un projecte d’innovació tecnològica per a la rehabilitació de la fibrosi quística”, UPF e-noticies, 13/01/2010
• “ActivA, translational bioinformatics in health care”, VPH NoE newsletter, January 2010
• “La ciencia que permitió descifrar el genoma“, interview in La Gaceta de Tucumán, Nov. 2008
• “Simulating life through complex computer networks” El.lipse July 2008
• Informática biomédica: una disciplina que ayuda a sacar provecho de los resultados de la investigación experimental y clínica“, La Vanguardia, October 2006
• “Spain’s ill-conceived project leaves its scientists in the lurch“, Report in Nature Medicine 12, 1106 (2006) on the Ramón y Cajal program
• “Hemos aprendido a hacernos entender”, Diario Médico, 20/09/2005

Science magazine has published an interesting report on the situation of science in Spain. Although somwhow too optimistic, if one takes into account an inner vision, it shows the potential of the country to make a quantum leap in the following years. The basis has been set up, and now we need two main ingredients to ensure continuity, two mechanisms that are not entirely ensured within the current financial crisis context:

1. continuous funding, if not increasing
2. leaders that look beyond their own “business”

The reason for the first is obvious. The connotation of the second is not so. In a country with little history in producing knowledge and in competing with the world for a position among leading nations, little minded leaders, at all levels of organization, are the main dangers for the system to progress. The temptation to utilize the circumstancial power in the own benefit while sending messages of excellence is part of the Spanish culture, and those who are in the research field in Spain can give several examples in all our organizations. This is easy to cure, and there is only need fro decency and for clear regulations that favor such excellence with the most extreme transparency. Whatever is different than that is just yet another failed attempt to bring the country near the top, where it should be by its potential.

Selected screenshots from the Activ8 portal, showing 3D biological environments relating to respiratory anatomy and cystic fibrosis.

From left to right: Research Environment, Research Tools, Cystic Fibrosis Pathway, Avatar, Organs, Lungs, Bronchiole wall and mucus, Alveolus, Cell, Membrane, Nucleus, Chromosomes, Chromosome 7.