A 2-D π–π dimer model system to investigate structure-charge transfer relationships in rubrene

© The Royal Society of Chemistry 2019Rubrene (5,6,11,12-tetraphenyltetracene) is undoubtedly one of the best performing organic charge transfer mediating materials, with experimentally determined mobilities up to 40 cm2 V−1 s−1. Consequently, there has been increasing interest by means of crystal engineering in trying to generate rubrene-based materials with analogous or even superior conducting properties. Often, experimental measurements are carried out in thin film architectures of these materials, where measured properties can be detrimentally impacted by device manufacture rather than intrinsic charge transfer properties of the material. The latter results in discarding potential good performers. To address these concerns, we report a two-dimensional model system that will allow researchers to predict charge transfer properties of their materials solely requiring the coordinates of the π–π stacking motifs. We envisaged this study to be of significant interest to the increasingly large community of materials scientists devoted to the realisation of improved organic charge mediating materials and particularly to those engaged in exploiting rubrene-based architectures.Peer reviewedFinal Accepted Versio

Cubiertas verdes y rehabilitación: procesos de participación y cooperación universidad empresa

Las cubiertas vegetales pueden aportar interesantes beneficios a la edificación existente: mejoras en el comportamiento térmico; propiedades acústicas; regulación de las aguas pluviales; y en clave ciudad, mejorar los efectos isla de calor, ayudar al mantenimiento de cierta biodiversidad y convertirse en elementos paisajísticos que crean nuevos espacios de convivencia y de calidad en el entorno urbano. Algunas de las propiedades de estas soluciones ya han sido ampliamente ensayadas en laboratorio, pero existen pocos experimentos en los que se pueda observar el comportamiento de las diversas propuestas que ofrece el mercado, sometidas a condiciones climatológicas reales, algunas tan variables como las que se dan en la cuenca del Mediterráneo, con lluvias intensas y puntuales, periodos de sequía esporádicos, cambios de temperatura bruscos, etc. Por este motivo se ha realizado el experimento que aquí presentamos: a lo largo de más de un año (febrero de 2015 a mediados de 2017) se ha estudiado el comportamiento de diferentes soluciones de cubierta verdePeer ReviewedPostprint (author's final draft

Recobriments antiadherents sobre titani: mètodes de deposició de poli(etilenglicol)

Els implants dentals són àmpliament utilitzats per a la substitució de peces dentals perdudes. Tot i la seva elevada taxa d’èxit, es produeixen fallades en un 5-10% dels implants col•locats. Per evitar les fallades per infecció cal evitar l’adhesió bacteriana inicial, fita que es pot assolir amb els recobriments antiadherents. En aquest estudi es realitza la comparativa de tres mètodes diferents per l’obtenció de recobriments de poli(etilenglicol) (PEG) sobre titani per aplicacions en implants dentals. Els mètodes estudiats han estat la polimerització per plasma, l’electrodeposició i la silanització. Els tres mètodes permeten obtenir un recobriment de PEG a la superfície del titani, amb composició química semblant i una reducció de l’adhesió bacteriana. L’adhesió cel•lular no es veu significativament afectada en cap dels casos.Peer Reviewe

Twist and shout: a surprising synergy between aryl and N-substituents defines the computed charge transport properties in a series of crystalline diketopyrrolopyrroles

This is the Accepted Manuscript version of an article accepted for publication in CyrstEngComm. Under embargo. Embargo end date: 22 November 2017. Jesus Calvo-Castrp, Sebastian Macza, Connor Thomson, Graeme Morris, Alan R. Kennedy and Callum J. McHugh, ‘Twist and shout: a surprising synergy between aryl and N-substituents defines the computed charge transport properties in a series of crystalline diketopyrrolopyrroles’, CrysEngComm, Vol 18(48): 9382-9390, first published online 22 November 2016, available at doi: 10.1039/C6CE02261HThe influence of systematic variation of aryl and N-substitution on predicted charge transport behaviour in a series of crystalline diketopyrrolopyrroles is evaluated. A correct combination of substituents is revealed to maximise those properties which dictate device performance in organic single crystals based upon this structural motif. For electron transport, furan and N-alkyl substitution emerge as optimal molecular design strategies, whilst phenyl structures bearing N-benzyl substituents are shown to offer the most significant promise as highly sought after crystalline hole transport materials.Peer reviewedFinal Accepted Versio

Health outcomes from home hospitalization: multisource predictive modeling

Background: Home hospitalization is widely accepted as a cost-effective alternative to conventional hospitalization for selected patients. A recent analysis of the home hospitalization and early discharge (HH/ED) program at Hospital Clínic de Barcelona over a 10-year period demonstrated high levels of acceptance by patients and professionals, as well as health value-based generation at the provider and health-system levels. However, health risk assessment was identified as an unmet need with the potential to enhance clinical decision making. Objective: The objective of this study is to generate and assess predictive models of mortality and in-hospital admission at entry and at HH/ED discharge. Methods: Predictive modeling of mortality and in-hospital admission was done in 2 different scenarios: at entry into the HH/ED program and at discharge, from January 2009 to December 2015. Multisource predictive variables, including standard clinical data, patients' functional features, and population health risk assessment, were considered. Results: We studied 1925 HH/ED patients by applying a random forest classifier, as it showed the best performance. Average results of the area under the receiver operating characteristic curve (AUROC; sensitivity/specificity) for the prediction of mortality were 0.88 (0.81/0.76) and 0.89 (0.81/0.81) at entry and at home hospitalization discharge, respectively; the AUROC (sensitivity/specificity) values for in-hospital admission were 0.71 (0.67/0.64) and 0.70 (0.71/0.61) at entry and at home hospitalization discharge, respectively. Conclusions: The results showed potential for feeding clinical decision support systems aimed at supporting health professionals for inclusion of candidates into the HH/ED program, and have the capacity to guide transitions toward community-based care at HH discharge

Solid state supramolecular structure of diketopyrrolopyrrole chromophores: correlating stacking geometry with visible light absorption

Mono- and di-alkylated 1,4-diketo-3,6-dithiophenylpyrrolo[3-4-c]pyrrole derivatives (TDPPs) have been synthesised and their solid state packing and absorption properties have been correlated. In this library of compounds the bulkier substituents distort the geometry of the chromophores and shift the lowest energy absorption band as a consequence of reduced π–π stacking and inter-chromophore overlap. Longitudinal displacement of the conjugated core is affected by donor–acceptor intermolecular interactions and twisting of the thiophene ring out of the plane of the DPP core, whereas lateral displacement was correlated to distortion of the NLactam–C(R) bond out of the plane of the DPP core. The di-substituted TDPP with hexyl units exhibit high molecular planarity, strong close packing of the conjugated core and significant red shift of the maximum of absorption in the solid, whereas the mono-substituted compounds with hexyl and ethyl acetate units are the least distorted of the series because of strong intermolecular hydrogen bonding that increases the molecular overlap and planarity of the chromophores. Therefore the family of mono-substituted TDPPs and more specifically the ones with ethyl acetate substituents show good potential for modulating the molecular geometry and optimizing the charge transport in materials for organic electronic applications

Transparent Gradient-Index Lens for Underwater Sound Based on Phase Advance

Spatial gradients in a refractive index are used extensively in acoustic metamaterial applications to control wave propagation through phase delay. This study reports the design and experimental realization of an acoustic gradient-index lens using a sonic crystal lattice that is impedance matched to water over a broad bandwidth. In contrast to previous designs, the underlying lattice features refractive indices that are lower than the water background, which facilitates propagation control based on a phase advance as opposed to a delay. The index gradient is achieved by varying the filling fraction of hollow, air-filled aluminum tubes that individually exhibit a higher sound speed than water and matched impedance. Acoustic focusing is observed over a broad bandwidth of frequencies in the homogenization limit of the lattice, with intensity magnifications in excess of 7 dB. An anisotropic lattice design facilitates a flat-faceted geometry with low backscattering at 18 dB below the incident sound-pressure level. A three-dimensional Rayleigh-Sommerfeld integration that accounts for the anisotropic refraction is used to accurately predict the experimentally measured focal patterns.This work is supported by the Office of Naval Research.Martin, TP.; Naify, C.; Skerritt, E.; Layman, C.; Nicholas, M.; Calvo, D.; Orris, GJ.... (2015). Transparent Gradient-Index Lens for Underwater Sound Based on Phase Advance. Physical Review Applied. 4(3):034003-1-034003-8. doi:10.1103/PhysRevApplied.4.034003S034003-1034003-843Naify, C. J., Martin, T. P., Layman, C. N., Nicholas, M., Thangawng, A. L., Calvo, D. C., & Orris, G. J. (2014). Underwater acoustic omnidirectional absorber. Applied Physics Letters, 104(7), 073505. doi:10.1063/1.4865480Li, R.-Q., Zhu, X.-F., Liang, B., Li, Y., Zou, X.-Y., & Cheng, J.-C. (2011). A broadband acoustic omnidirectional absorber comprising positive-index materials. Applied Physics Letters, 99(19), 193507. doi:10.1063/1.3659690Climente, A., Torrent, D., & Sánchez-Dehesa, J. (2012). Omnidirectional broadband acoustic absorber based on metamaterials. Applied Physics Letters, 100(14), 144103. doi:10.1063/1.3701611Martin, T. P., Layman, C. N., Moore, K. M., & Orris, G. J. (2012). Elastic shells with high-contrast material properties as acoustic metamaterial components. Physical Review B, 85(16). doi:10.1103/physrevb.85.161103Titovich, A. S., & Norris, A. N. (2014). Tunable cylindrical shell as an element in acoustic metamaterial. The Journal of the Acoustical Society of America, 136(4), 1601-1609. doi:10.1121/1.4894723Zhang, B., Chan, T., & Wu, B.-I. (2010). Lateral Shift Makes a Ground-Plane Cloak Detectable. Physical Review Letters, 104(23). doi:10.1103/physrevlett.104.233903Yin, M., Yong Tian, X., Xue Han, H., & Chen Li, D. (2012). Free-space carpet-cloak based on gradient index photonic crystals in metamaterial regime. Applied Physics Letters, 100(12), 124101. doi:10.1063/1.3696040Torrent, D., & Sánchez-Dehesa, J. (2007). Acoustic metamaterials for new two-dimensional sonic devices. New Journal of Physics, 9(9), 323-323. doi:10.1088/1367-2630/9/9/323Climente, A., Torrent, D., & Sánchez-Dehesa, J. (2010). Sound focusing by gradient index sonic lenses. Applied Physics Letters, 97(10), 104103. doi:10.1063/1.3488349Martin, T. P., Nicholas, M., Orris, G. J., Cai, L.-W., Torrent, D., & Sánchez-Dehesa, J. (2010). Sonic gradient index lens for aqueous applications. Applied Physics Letters, 97(11), 113503. doi:10.1063/1.3489373Peng, S., He, Z., Jia, H., Zhang, A., Qiu, C., Ke, M., & Liu, Z. (2010). Acoustic far-field focusing effect for two-dimensional graded negative refractive-index sonic crystals. Applied Physics Letters, 96(26), 263502. doi:10.1063/1.3457447Sanchis, L., Yánez, A., Galindo, P. L., Pizarro, J., & Pastor, J. M. (2010). Three-dimensional acoustic lenses with axial symmetry. Applied Physics Letters, 97(5), 054103. doi:10.1063/1.3474616Zigoneanu, L., Popa, B.-I., & Cummer, S. A. (2011). Design and measurements of a broadband two-dimensional acoustic lens. Physical Review B, 84(2). doi:10.1103/physrevb.84.024305Lin, S.-C. S., Tittmann, B. R., & Huang, T. J. (2012). Design of acoustic beam aperture modifier using gradient-index phononic crystals. Journal of Applied Physics, 111(12), 123510. doi:10.1063/1.4729803Chang, T. M., Dupont, G., Enoch, S., & Guenneau, S. (2012). Enhanced control of light and sound trajectories with three-dimensional gradient index lenses. New Journal of Physics, 14(3), 035011. doi:10.1088/1367-2630/14/3/035011Hladky-Hennion, A.-C., Vasseur, J. O., Haw, G., Croënne, C., Haumesser, L., & Norris, A. N. (2013). Negative refraction of acoustic waves using a foam-like metallic structure. Applied Physics Letters, 102(14), 144103. doi:10.1063/1.4801642Ren, C., Xiang, Z., & Cen, Z. (2010). Design of acoustic devices with isotropic material via conformal transformation. Applied Physics Letters, 97(4), 044101. doi:10.1063/1.3467852Layman, C. N., Martin, T. P., Moore, K. M., Calvo, D. C., & Orris, G. J. (2011). Designing acoustic transformation devices using fluid homogenization of an elastic substructure. Applied Physics Letters, 99(16), 163503. doi:10.1063/1.3652914Maldovan, M. (2013). Sound and heat revolutions in phononics. Nature, 503(7475), 209-217. doi:10.1038/nature12608Kadic, M., Bückmann, T., Schittny, R., & Wegener, M. (2013). Metamaterials beyond electromagnetism. Reports on Progress in Physics, 76(12), 126501. doi:10.1088/0034-4885/76/12/126501Torrent, D., & Sánchez-Dehesa, J. (2008). Anisotropic mass density by two-dimensional acoustic metamaterials. New Journal of Physics, 10(2), 023004. doi:10.1088/1367-2630/10/2/023004Parazzoli, C. G., Koltenbah, B. E. C., Greegor, R. B., Lam, T. A., & Tanielian, M. H. (2006). Eikonal equation for a general anisotropic or chiral medium: application to a negative-graded index-of-refraction lens with an anisotropic material. Journal of the Optical Society of America B, 23(3), 439. doi:10.1364/josab.23.000439Ward, G. P., Lovelock, R. K., Murray, A. R. J., Hibbins, A. P., Sambles, J. R., & Smith, J. D. (2015). Boundary-Layer Effects on Acoustic Transmission Through Narrow Slit Cavities. Physical Review Letters, 115(4). doi:10.1103/physrevlett.115.044302Guild, M. D., García-Chocano, V. M., Kan, W., & Sánchez-Dehesa, J. (2015). Acoustic metamaterial absorbers based on multilayered sonic crystals. Journal of Applied Physics, 117(11), 114902. doi:10.1063/1.4915346Reyes-Ayona, E., Torrent, D., & Sánchez-Dehesa, J. (2012). Homogenization theory for periodic distributions of elastic cylinders embedded in a viscous fluid. The Journal of the Acoustical Society of America, 132(4), 2896-2908. doi:10.1121/1.4744933Molerón, M., Serra-Garcia, M., & Daraio, C. (2014). Acoustic Fresnel lenses with extraordinary transmission. Applied Physics Letters, 105(11), 114109. doi:10.1063/1.4896276Li, Y., Yu, G., Liang, B., Zou, X., Li, G., Cheng, S., & Cheng, J. (2014). Three-dimensional Ultrathin Planar Lenses by Acoustic Metamaterials. Scientific Reports, 4(1). doi:10.1038/srep06830Gao, Y., Liu, J., Zhang, X., Wang, Y., Song, Y., Liu, S., & Zhang, Y. (2012). Analysis of focal-shift effect in planar metallic nanoslit lenses. Optics Express, 20(2), 1320. doi:10.1364/oe.20.001320Born, M., Wolf, E., Bhatia, A. B., Clemmow, P. C., Gabor, D., Stokes, A. R., … Wilcock, W. L. (1999). Principles of Optics. doi:10.1017/cbo9781139644181Shen, C., Xu, J., Fang, N. X., & Jing, Y. (2014). Anisotropic Complementary Acoustic Metamaterial for Canceling out Aberrating Layers. Physical Review X, 4(4). doi:10.1103/physrevx.4.041033Dubois, M., Farhat, M., Bossy, E., Enoch, S., Guenneau, S., & Sebbah, P. (2013). Flat lens for pulse focusing of elastic waves in thin plates. Applied Physics Letters, 103(7), 071915. doi:10.1063/1.4818716Dubois, M., Bossy, E., Enoch, S., Guenneau, S., Lerosey, G., & Sebbah, P. (2015). Time-Driven Superoscillations with Negative Refraction. Physical Review Letters, 114(1). doi:10.1103/physrevlett.114.013902Kock, W. E., & Harvey, F. K. (1949). Refracting Sound Waves. The Journal of the Acoustical Society of America, 21(5), 471-481. doi:10.1121/1.1906536Liang, Z., & Li, J. (2012). Extreme Acoustic Metamaterial by Coiling Up Space. Physical Review Letters, 108(11). doi:10.1103/physrevlett.108.114301Xie, Y., Konneker, A., Popa, B.-I., & Cummer, S. A. (2013). Tapered labyrinthine acoustic metamaterials for broadband impedance matching. Applied Physics Letters, 103(20), 201906. doi:10.1063/1.4831770Frenzel, T., David Brehm, J., Bückmann, T., Schittny, R., Kadic, M., & Wegener, M. (2013). Three-dimensional labyrinthine acoustic metamaterials. Applied Physics Letters, 103(6), 061907. doi:10.1063/1.4817934Bozhko, A., García-Chocano, V. M., Sánchez-Dehesa, J., & Krokhin, A. (2015). Redirection of sound in straight fluid channel with elastic boundaries. Physical Review B, 91(9). doi:10.1103/physrevb.91.094303García-Meca, C., Carloni, S., Barceló, C., Jannes, G., Sánchez-Dehesa, J., & Martínez, A. (2014). Transformational acoustic metamaterials based on pressure gradients. Physical Review B, 90(2). doi:10.1103/physrevb.90.024310Cummer, S. A., & Schurig, D. (2007). One path to acoustic cloaking. New Journal of Physics, 9(3), 45-45. doi:10.1088/1367-2630/9/3/045Chen, H., & Chan, C. T. (2007). Acoustic cloaking in three dimensions using acoustic metamaterials. 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Radon Mitigation Applications at the Laboratorio Subterraneo de Canfranc (LSC)

The Laboratorio Subterraneo de Canfranc (LSC) is the Spanish national hub for low radioactivity techniques and the associated scientific and technological applications. The concentration of the airborne radon is a major component of the radioactive budget in the neighborhood of the detectors. The LSC hosts a Radon Abatement System, which delivers a radon suppressed air with 1.1 & PLUSMN;0.2 mBq/m(3) of Rn-222. The radon content in the air is continuously monitored with an Electrostatic Radon Monitor. Measurements with the double beta decay demonstrators NEXT-NEW and CROSS and the gamma HPGe detectors show the important reduction of the radioactive background due to the purified air in the vicinity of the detectors. We also discuss the use of this facility in the LSC current program which includes NEXT-100, low background biology experiments and radiopure copper electroformation equipment placed in the radon-free clean room

Espècies singulars del Jardí de la Facultat de Farmàcia i Ciències de l’Alimentació

Facultat de Farmàcia i Ciències de l'Alimentació, Universitat de Barcelona. Ensenyament: Grau de Farmàcia , Assignatura: Plantes Medicinals, Etnobotànica i Bioprospecció , Curs: 2018-2019, Coordinadors: Joan Simon i Carles BenedíEl grup d’innovació GIBAF, ha dut a terme una activitat acadèmica amb els estudiants de l’assignatura de Plantes Medicinals, Etnobotànica i Bioprospecció que s’inscriu en un projecte d’innovació docent que pren com a base les espècies del campus de la Facultat i que s’orienta en l’àmbit de l’aprenentatge-servei (ApS). Aquesta activitat ha consistit en la redacció d’una vintena de fitxes d’espècies presents al jardí i, de manera especial, la redacció d’unes monografies sobre espècies que considerem com a singulars. Aquesta singularitat ve determinada per aspectes botànics, com en el cas del Ginkgo biloba i Dracaena drago, per ser plantes emblemàtiques, com ara l’exemplar d’olivera (Olea europaea) plantada amb motiu del 150è aniversari de la Facultat, o del grup de margallons (Chamaerops humilis) trasplantat amb motiu del centenari de la mort de Pius Font i Quer, o bé per ser espècies pròpies de la mediterrània, com ara en el cas del baladre (Nerium oleander), el garrofer (Ceratonia siliqua) i el llorer (Laurus nobilis) o per tenir una presència destacada en el campus, con ara el ficus de cautxú (Ficus elàstica)

Accuracy and Survival Outcomes after National Implementation of Sentinel Lymph Node Biopsy in Early Stage Endometrial Cancer

Background. Sentinel lymph node (SLN) biopsy has recently been accepted to evaluate nodal status in endometrial cancer at early stage, which is key to tailoring adjuvant treatments. Our aim was to evaluate the national implementation of SLN biopsy in terms of accuracy to detect nodal disease in a clinical setting and oncologic outcomes according to the volume of nodal disease. Patients and Methods. A total of 29 Spanish centers participated in this retrospective, multicenter registry including patients with endometrial adenocarcinoma at preoperative early stage who had undergone SLN biopsy between 2015 and 2021. Each center collected data regarding demographic, clinical, histologic, therapeutic, and survival characteristics. Results. A total of 892 patients were enrolled. After the surgery, 12.9% were suprastaged to FIGO 2009 stages III-IV and 108 patients (12.1%) had nodal involvement: 54.6% macrometastasis, 22.2% micrometastases, and 23.1% isolated tumor cells (ITC). Sensitivity of SLN biopsy was 93.7% and false negative rate was 6.2%. After a median follow up of 1.81 years, overall surivial and disease-free survival were significantly lower in patients who had macrometastases when compared with patients with negative nodes, micrometastases or ITC. Conclusions. In our nationwide cohort we obtained high sensitivity of SLN biopsy to detect nodal disease. The oncologic outcomes of patients with negative nodes and low-volume disease were similar after tailoring adjuvant treatments. In total, 22% of patients with macrometastasis and 50% of patients with micrometastasis were at low risk of nodal metastasis according to their preoperative risk factors, revealing the importance of SLN biopsy in the surgical management of patients with early stage EC