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Posts on Jan 1970

Dr. Concepció Rovira Angulo receives the award from the Real Sociedad Española de Química of Research Excellence 2015

The Junta de Gobierno of the Real Sociedad Española de Química agreed to approve the Award for Excellence in Research RSEQ 2015 to Dr. Concepció Rovira Angulo in recognition of his outstanding contributions to chemistry, embodied in conceptual developments and studies on multifunctional molecular materials, particularly electronic and / or magnetic properties.

His interdisciplinary research has a substantial effect on the development of nanoscience and molecular nanotechnology. Dr. Concepció Rovira is Research Professor of CSIC, under the Department of Molecular Nanoscience and Organic Materials Institute of Materials Science of Barcelona (ICMAB-CSIC). Recently, he has been awarded the “2013 Distinguished Women in Chemistry” IUPAC Prize.

She is the author of over 300 publications, over 50 in the last five years, with very strong presence in the most important journals in the field of materials and notorious visibility in multidisciplinary chemistry with high impact factor with tens of publications (Journal of the American Chemical Society / Angewandte Chemie / Chemical Science / Nature Chemistry), 8 of them in the last five years. She is the author of numerous patents, including two international and another in operation. In the last five years it has been principal investigator of three European projects and other with state funding; in that five-year period, he has given more than 30 lectures at conferences and national and international centres of research. He has directed 13 doctoral theses, 3 in the last five years.

U6.News Dr. Concepció Rovira Angulo receives the award
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A pyrene based dyad and triad leading to a reversible chemical and redox optical and magnetic switch

C. Franco, M. Mas-Torrent, A. Caballero, A. Espinosa, P. Molina, J. Veciana and C. Rovira
Chemistry A european Journal, 2015, 21, 5504 – 5509 DOI: 10.1002/chem.201405993

Two new pyrene-polychlorotriphenylmethyl (PTM) dyads and triads have been synthesized and characterized by optical, magnetic and electrochemical methods. The interplay between the different electronic states of the PTM moiety in the dyads and triads and the optical and magnetic properties of the molecules have been studied. The electronic spectra of the radicals show the intramolecular charge-transfer (ICT) transition at around 700 nm due to the acceptor character of the PTM radical. In the diamagnetic protonated derivatives, the fluorescence due to the pyrene is maintained, whereas in the radicals and the corresponding anions there is a clear quenching of the fluorescence. The redox activity of PTM radicals that are easily reduced to the corresponding carbanion has been exploited to fabricate electrochemical switches with optical and magnetic response.

U6.News A pyrene based dyad and triad leading to a reversible chemical
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U26-E03. Bruker DRX500 spectrometer (11.7 T), and with three RF channels

11T NMR equipment with the following probes:

•• HR-MAS,
•• Cryoprobe, and
•• multinuclear probe with service for metabolomics for tissues, cell lines and biofluids.


  • BBOF Plus ATM. 1H/BB/19F direct multinuclear probe (5mm), with field gradients along the z axis, and automatic frequency tuning. Range of frequencies in the broadband channel from 15N to 31P.
  • TBI. 1H/BB/15N triple reverse probe (5mm), with field gradients along the z axis. Range of frequencies in the broadband channel from 15N to 31P.
  • BACS autosampler for 60 samples.
  • Accessory to control temperature, with air down to 5ºC. Liquid nitrogen evaporator for low temperature experiments.
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U26-E02. Microcamera for its use in the NM R equipment

Microcamera for its use in the NM R equipment for:

•• the simultaneous determination of structural images
(dimensions and sections of 50 μm and less)
•• metabolic images (voxel sizes < 200 μm) in model

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U26-E01. DRX-600 Bruker NM R equipment (14 Teslas)

DRX-600 Bruker NM R equipment (14 Teslas):

•• 4-channel electronic systems with applications in
fluids, tissues, biomaterials and microimaging
•• Thermostating system for fluids and tissues, and for
molecular imaging and microimaging
•• Set of coils: fluids 5 mm, micro-fluids 1 mm, tissues
(High Resolution Magic Angle Spinning, HR-MAS) +
pneumatic and microimaging system for 10, 5 and
2 mm.
•• 60 Amp GREAT unit for each X/Y/Z axis of the field
•• 13C selective device with 1H decoupling.
•• 2D microcoil for 500 μm and 100 μm microsamples.
•• Refrigerated SampleJet autosampler with temperature control for 60 Samples

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U27-S01. Remote access to HPC (Onsite&Remote) SINGULAR

Remote access to the platform enables calculation
intensive numerical models to be run for use in applications
>> Biomedical Engineering aplications with large data processing requirement
>> Bio-Informatics and Computational Chemistry
>> Scientific modeling
>> Computational Fluid Dynamics
>> Computer Vision and MATLAB Acceleration
>> Image processing.

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U27-S02. Software installation on demand (Onsite&Remote) SINGULAR

Installation of specific software on demand for research purposes.

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U27-S03. Biomedical signals processing, especially in cardiology (Onsite&Remote) SINGULAR

Automatization over ECG, polisomnography and other signals. Autonomic nervous system (VRV, BP, HRT, etc.) Characterization time-frecuency of biomedical signals. Outpatient detection of apnea. Characterization of cardiac risk through ECG. ECG multilevel (cellular and surface) electric modelling.

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U27-S04. Modeling of the functional behaviour of tissues and organs (Onsite&Remote) SINGULAR

Modeling and simulation of the functional behavior of tissues and organs with application in the evaluation of pathologies and surgery, pre-operative planning and virtual surgery. The main fields of application are related to the musculoskeletal system, the cardiovascular system and other tissues such as trachea, eye or breast.

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U27-E03. Licensed software

Licensed software:

– Matlab R2014/R2012/R2011/R2010
– Abaqus 6.13/6.11/6.9
– Comsol 4.3/4.2/4.1
– Adina 8.5/8.7/8.9
– Ansys CFX 14.5
– Gaussian
– LS-Dyna
– Simics 3.0.31
– ADAMS 2013

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