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School characteristics, child work, and other daily activities as sleep deficit predictors in adolescents from households with unsatisfied basic needs

program design

Simonelli G, Tuñón I, Vigo DE.
GSID: mBXi5qf13w0J
DE Vigo, G Simonelli, I Tuñón… - Mind, Brain, and …, 2014 - Wiley Online Library

Sleep in adolescents has been shown to be an important factor when looking at physical, mental, and social well‐being. Little evidence is found regarding sleep patterns in …

A Collective Coordinate to Obtain Free Energy Profiles for Complex Reactions in Condensed Phases.

Journal of chemical theory and computation

Zinovjev K, Martí S, Tuñón I.
PMID: 26593670
J Chem Theory Comput. 2012 May 08;8(5):1795-801. doi: 10.1021/ct300070b. Epub 2012 Apr 05.

Exploration of chemical reactions in complex explicit environments has become an affordable task with the use of hybrid quantum mechanics/molecular mechanics potentials which allow calculating free energy profiles of chemical reactions under the influence of the surroundings. Tracing these...

Transition state ensemble optimization for reactions of arbitrary complexity.

The Journal of chemical physics

Zinovjev K, Tuñón I.
PMID: 26450296
J Chem Phys. 2015 Oct 07;143(13):134111. doi: 10.1063/1.4931596.

In the present work, we use Variational Transition State Theory (VTST) to develop a practical method for transition state ensemble optimization by looking for an optimal hyperplanar dividing surface in a space of meaningful trial collective variables. These might...

Domain-selective reactivity of hydroquinone-derived adlayers at basal Pt(hkl) single-crystal electrodes.

Langmuir : the ACS journal of surfaces and colloids

Rodríguez-López M, Rodes A, Herrero E, Tuñón P, Feliu JM, Aldaz A, Carrasquillo A.
PMID: 19655708
Langmuir. 2009 Sep 01;25(17):10337-44. doi: 10.1021/la900771c.

The electrochemical reactivity of hydroquinone-derived adlayers (Q((ads))) is compared at basal Pt(hkl) single-crystal surfaces, revealing that the electrochemically controlled desorption of Q((ads)) is a highly selective surface reaction. At well-ordered Pt(111) single-crystal surfaces, classical electrochemical methods are combined with...

Facilitating organisational development using a group-based formative assessment and benchmarking method: design and implementation of the International Family Practice Maturity Matrix.

Quality & safety in health care

Elwyn G, Bekkers MJ, Tapp L, Edwards A, Newcombe R, Eriksson T, Braspenning J, Kuch C, Adzic ZO, Ayankogbe O, Cvetko T, In 't Veld K, Karotsis A, Kersnik J, Lefebvre L, Mecini I, Petricek G, Pisco L, Thesen J, Turón JM, van Rossen E, Grol R.
PMID: 20511595
Qual Saf Health Care. 2010 Dec;19(6):e48. doi: 10.1136/qshc.2009.037580. Epub 2010 May 28.

INTRODUCTION: Well-organised practices deliver higher-quality care. Yet there has been very little effort so far to help primary care organisations achieve higher levels of team performance and to help them identify and prioritise areas where quality improvement efforts should...

Linking electrostatic effects and protein motions in enzymatic catalysis. A theoretical analysis of catechol o-methyltransferase.

The journal of physical chemistry. B

García-Meseguer R, Zinovjev K, Roca M, Ruiz-Pernía JJ, Tuñón I.
PMID: 25159911
J Phys Chem B. 2015 Jan 22;119(3):873-82. doi: 10.1021/jp505746x. Epub 2014 Sep 10.

The role of protein motions in enzymatic catalysis is the subject of a hot scientific debate. We here propose the use of an explicit solvent coordinate to analyze the impact of environmental motions during the reaction process. The example...

Optical forces on small particles from partially coherent light.

Journal of the Optical Society of America. A, Optics, image science, and vision

Auñón JM, Nieto-Vesperinas M.
PMID: 22751405
J Opt Soc Am A Opt Image Sci Vis. 2012 Jul 01;29(7):1389-98. doi: 10.1364/JOSAA.29.001389.

We put forward a theory on the optical force exerted upon a dipolar particle by a stationary and ergodic partially coherent light field. We show through a rigorous analysis that the ensemble averaged electromagnetic force is given in terms...

Partially coherent fluctuating sources that produce the same optical force as a laser beam.

Optics letters

Auñón JM, Nieto-Vesperinas M.
PMID: 23903166
Opt Lett. 2013 Aug 01;38(15):2869-72. doi: 10.1364/OL.38.002869.

Inspired by a theory previously derived by Wolf and Collett [Opt. Commun. 25, 293 (1978)], we demonstrate that partially coherent Gaussian-Schell model fluctuating sources (GSMS) produce exactly the same optical forces as a fully coherent laser beam. We also...

Melatonin Attenuates Dysregulation of the Circadian Clock Pathway in Mice With CCl.

Frontiers in pharmacology

González-Fernández B, Sánchez DI, Crespo I, San-Miguel B, de Urbina JO, González-Gallego J, Tuñón MJ.
PMID: 29892224
Front Pharmacol. 2018 May 28;9:556. doi: 10.3389/fphar.2018.00556. eCollection 2018.

Dysregulation of the circadian clock machinery is a critical mechanism in the pathogenesis of fibrosis. This study aimed to investigate whether the antifibrotic effect of melatonin is associated with attenuation of circadian clock pathway disturbances in mice treated with...

Adaptive Finite Temperature String Method in Collective Variables.

The journal of physical chemistry. A

Zinovjev K, Tuñón I.
PMID: 29190105
J Phys Chem A. 2017 Dec 28;121(51):9764-9772. doi: 10.1021/acs.jpca.7b10842. Epub 2017 Dec 18.

Here we present a modified version of the on-the-fly string method for the localization of the minimum free energy path in a space of arbitrary collective variables. In the proposed approach the shape of the biasing potential is controlled...

Isotope Substitution of Promiscuous Alcohol Dehydrogenase Reveals the Origin of Substrate Preference in the Transition State.

Angewandte Chemie (International ed. in English)

Behiry EM, Ruiz-Pernia JJ, Luk L, Tuñón I, Moliner V, Allemann RK.
PMID: 29341402
Angew Chem Int Ed Engl. 2018 Mar 12;57(12):3128-3131. doi: 10.1002/anie.201712826. Epub 2018 Feb 19.

The origin of substrate preference in promiscuous enzymes was investigated by enzyme isotope labelling of the alcohol dehydrogenase from Geobacillus stearothermophilus (BsADH). At physiological temperature, protein dynamic coupling to the reaction coordinate was insignificant. However, the extent of dynamic...

Influenza vaccination coverage and factors associated with severe laboratory-confirmed influenza-related illness in patients receiving care at a tertiary hospital in Catalonia (Spain) during the 2018-2019 epidemic season.

PloS one

Mena G, Casas I, Casañ C, Auñón M, Matas L, Mòdol JM, Esteve M.
PMID: 34855801
PLoS One. 2021 Dec 02;16(12):e0260397. doi: 10.1371/journal.pone.0260397. eCollection 2021.

INTRODUCTION: Influenza vaccination rates in risk groups remain suboptimal. Evidence supporting a significant association between influenza vaccination and severe illness is limited.METHODS: We retrospectively analyzed the epidemiological characteristics of out- and inpatients with laboratory-confirmed influenza infection attended during the...

Showing 1 to 12 of 77 entries