New approximation to the third-order density : application to the calculation of correlated multicenter indices

In this work we present the formulas for the calculation of exact three-center electron sharing indices (3c-ESI) and introduce two new approximate expressions for correlated wave functions. The 3c-ESI uses the third-order density, the diagonal of the third-order reduced density matrix, but the approximations suggested in this work only involve natural orbitals and occupancies. In addition, the first calculations of 3c-ESI using Valdemoro's, Nakatsuji's and Mazziotti's approximation for the third-order reduced density matrix are also presented for comparison. Our results on a test set of molecules, including 32 3c-ESI values, prove that the new approximation based on the cubic root of natural occupancies performs the best, yielding absolute errors below 0.07 and an average absolute error of 0.015. Furthemore, this approximation seems to be rather insensitive to the amount of electron correlation present in the system. This newly developed methodology provides a computational inexpensive method to calculate 3c-ESI from correlated wave functions and opens new avenues to approximate high-order reduced density matrices in other contexts, such as the contracted Schrödinger equation and the anti-Hermitian contracted Schrödinger equation

Functional connectivity of reward processing in the brain

Controversial results have been reported concerning the neural mechanisms involved in the processing of rewards and punishments. On the one hand, there is evidence suggesting that monetary gains and losses activate a similar fronto-subcortical network. On the other hand, results of recent studies imply that reward and punishment may engage distinct neural mechanisms. Using functional magnetic resonance imaging (fMRI) we investigated both regional and interregional functional connectivity patterns while participants performed a gambling task featuring unexpectedly high monetary gains and losses. Classical univariate statistical analysis showed that monetary gains and losses activated a similar fronto-striatallimbic network, in which main activation peaks were observed bilaterally in the ventral striatum. Functional connectivity analysis showed similar responses for gain and loss conditions in the insular cortex, the amygdala, and the hippocampus that correlated with the activity observed in the seed region ventral striatum, with the connectivity to the amygdala appearing more pronounced after losses. Larger functional connectivity was found to the medial orbitofrontal cortex for negative outcomes. The fact that different functional patterns were obtained with both analyses suggests that the brain activations observed in the classical univariate approach identifi es the involvement of different functional networks in the current task. These results stress the importance of studying functional connectivity in addition to standard fMRI analysis in reward-related studies.

Functional neuroanatomy of meaning acquisition from context

An important issue in language learning is how new words are integrated in the brain representations that sustain language processing. To identify the brain regions involved in meaning acquisition and word learning, we conducted a functional magnetic resonance imaging study. Young participants were required to deduce the meaning of a novel word presented within increasingly constrained sentence contexts that were read silently during the scanning session. Inconsistent contexts were also presented in which no meaning could be assigned to the novel word. Participants showed meaning acquisition in the consistent but not in the inconsistent condition. A distributed brain network was identified comprising the left anterior inferior frontal gyrus (BA 45), the middle temporal gyrus (BA 21), the parahippocampal gyrus, and several subcortical structures (the thalamus and the striatum). Drawing on previous neuroimaging evidence, we tentatively identify the roles of these brain areas in the retrieval, selection, and encoding of the meaning.

Epigenètica i futur dels infants

Una de les característiques que defineixen els éssers vius és la seva capacitat per adaptar-se a l'entorn. Evolutivament parlant, les espècies es van adaptant per l'acumulació de mutacions atzaroses que alteren el missatge genètic i per l'acció de la selecció natural. Tanmateix, a curt termini, en el decurs de la vida d'un organisme, aquest també s'ha d'adaptar al seu entorn particular. En el cas dels vertebrats superiors, com les persones, bona part d'aquesta adaptació individual s'aconsegueix amb el comportament, que s'origina al cervell [...].

Els robots s'inspiren en les taràntules

La robòtica està experimentant un gran auge, amb el disseny de màquines cada cop més sofisticades i complexes pel que fa a les funcions que poden dur a terme i a la capacitat d'interacció amb les persones. Molta inspiració ve de la natura. Un dels reptes actuals és optimitzar els sistemes que controlen el moviment de les extremitats perquè permetin ajustar la velocitat i la coordinació de manera precisa i ràpida. Anna N. Ahn i els seus col·laboradors, dels departaments de biologia i d'enginyeria del Pitzer College i del Harvey Mudd College de Claremont, als EUA, han proposat un sistema de control basat en el moviment de les extremitats de les aranyes. Concretament, han estudiat la locomoció hidràulica de les taràntules, que es veu afectada per la temperatura, segons han publicat a The Journal of Experimental Biology.

Brain-Computer Interfaces, Virtual Reality, and Videogames

Major challenges must be tackled for brain-computer interfaces to mature into an established communications medium for VR applications, which will range from basic neuroscience studies to developing optimal peripherals and mental gamepads and more efficient brain-signal processing techniques.

Brain Computer Interface for Virtual Reality Control

A brain-computer interface (BCI) is a new communication channel between the human brain and a computer. Applications of BCI systems comprise the restoration of movements, communication and environmental control. In this study experiments were made that used the BCI system to control or to navigate in virtual environments (VE) just by thoughts. BCI experiments for navigation in VR were conducted so far with synchronous BCI and asynchronous BCI systems. The synchronous BCI analyzes the EEG patterns in a predefined time window and has 2 to 3 degrees of freedom.

Pleiotrophin as a central nervous system neuromodulator, evidences from the hippocampus

Pleiotrophin (PTN) is a secreted growth factor, and also a cytokine, associated with the extracellular matrix, which has recently starting to attract attention as a significant neuromodulator with multiple neuronal functions during development. PTN is expressed in several tissues, where its signals are generally related with cell proliferation, growth, and differentiation by acting through different receptors. In Central Nervous System (CNS), PTN exerts post-developmental neurotrophic and -protective effects, and additionally has been involved in neurodegenerative diseases and neural disorders. Studies in Drosophila shed light on some aspects of the different levels of regulatory control of PTN invertebrate homologs. Specifically in hippocampus, recent evidence from PTN Knock-out (KO) mice involves PTN functioning in learning and memory. In this paper, we summarize, discuss, and contrast the most recent advances and results that lead to proposing a PTN as a neuromodulatory molecule in the CNS, particularly in hippocampus.

Creative Industries: a Preliminary Insight to their Location Determinants

This paper is about location decisions of Creative Industries and the role played by existent spatial distribution and agglomeration economies of these kinds of activities in order to analyse their location determinants. Our main statistical source is the REIC (Catalan Manufacturing Establishments Register), which has plant-level microdata on location of new plants. Using Count Data Models, our main results show that location determinants are quite similar between both industries and also both non-creative and creative firms are positively influenced by the specialisation level in Creative Industries of municipalities. Moreover, our results provide evidence that the unobserved ‘creative milieu’ has a limited impact on attracting firms. Keywords: creative industries, creative milieu, count data models, industrial location, agglomeration economies

Pleiotrophin as a central nervous system neuromodulator, evidences from the hippocampus

Pleiotrophin (PTN) is a secreted growth factor, and also a cytokine, associated with the extracellular matrix, which has recently starting to attract attention as a significant neuromodulator with multiple neuronal functions during development. PTN is expressed in several tissues, where its signals are generally related with cell proliferation, growth, and differentiation by acting through different receptors. In Central Nervous System (CNS), PTN exerts post-developmental neurotrophic and -protective effects, and additionally has been involved in neurodegenerative diseases and neural disorders. Studies in Drosophila shed light on some aspects of the different levels of regulatory control of PTN invertebrate homologs. Specifically in hippocampus, recent evidence from PTN Knock-out (KO) mice involves PTN functioning in learning and memory. In this paper, we summarize, discuss, and contrast the most recent advances and results that lead to proposing a PTN as a neuromodulatory molecule in the CNS, particularly in hippocampus.

Speed of travelling fronts: Two-dimensional and ballistic dispersal probability distributions

The speed of traveling fronts for a two-dimensional model of a delayed reactiondispersal process is derived analytically and from simulations of molecular dynamics. We show that the one-dimensional (1D) and two-dimensional (2D) versions of a given kernel do not yield always the same speed. It is also shown that the speeds of time-delayed fronts may be higher than those predicted by the corresponding non-delayed models. This result is shown for systems with peaked dispersal kernels which lead to ballistic transport

Aproximació a les intervencions educatives en el temps lliure

La dècada dels 90 es presenta com una dècada amb interessants canvis dins elmón educatiu pel que fa a Catalunya i a l'Estat Espanyol. D'una banda, la implantacióde la Llei d'Ordenació General del Sistema Educatiu motiva una gran quantitat derecerques i reflexions a l'entorn de l'educació i de les funcions que aquesta ha d'exercir.D'altra banda cal considerar els Nous Plans d'Estudis Universitaris, en especial,els relacionats amb el món de l'educació. Els anys noranta prometen ser uns anysd'importants innovacions en el terreny educatiu

La química addictiva de l'amor

El títol d'una coneguda pel·lícula espanyola es preguntava 'Per què en diuen amor quan volen dir sexe'. Segurament però, els resultats d'alguns treballs científics recents obligaran a reformar aquesta pregunta i dir: 'Per què en diuen amor i sexe quan volen dir química cerebral' [...].

La psicoanàlisi de Freud sota el microscopi actual

Sigmund Freud (Moràvia, 1856 - Anglaterra, 1939) ha sigut un dels grans pensadors de finals del segle XIX i principis del XX, una figura cabdal de la cultura contemporània. En el seu afany per intentar comprendre la conducta humana, va obrir un camí en l'estudi de la consciència i l'inconscient. Possiblement el seu mèrit més important ha sigut prestar atenció als problemes de salut mental i voler-los acostar a l'àmbit clínic, quan la medicina encara els percebia ben de lluny i els entenia poc. Les seves propostes, però, van ser molt controvertides, i encara ho són avui. Fins i tot entre les persones que estudien el cervell i la ment humana o que apliquen aquests coneixements en la pràctica clínica, encara hi ha desacords profunds pel que fa a la seva validesa i utilitat. Per a alguns, va ser un gran científic que va descobrir importants veritats sobre la psicologia humana; per a d'altres, va ser un filòsof visionari que va replantejar la natura humana, malgrat que les seves hipòtesis no es puguin qualificar de científiques i moltes hagin sigut rebutjades per la neurociència moderna.

Synthesis and antiprotozoal activity of oligomethylene- and p-phenylene-bis(methylene)-linked bis(+)-huprines

We have synthesized a series of dimers of (+)-(7R,11R)-huprine Y and evaluated their activity against Trypanosoma brucei, Plasmodium falciparum, rat myoblast L6 cells and human acetylcholinesterase (hAChE), and their brain permeability. Most dimers have more potent and selective trypanocidal activity than huprine Y and are brain permeable, but they are devoid of antimalarial activity and remain active against hAChE. Lead optimization will focus on identifying compounds with a more favourable trypanocidal/anticholinesterase activity ratio.