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Experimental studies of TiO2 nanotubes have been conducted for nearly three decades and have revealed the remarkable advantages of this material. Research based on computer simulations is much rarer, with research using density functional theory (DFT) being the most significant in this field. It should be noted, however, that this approach has significant limitations when studying the macroscopic properties of nanostructures such as nanosheets and nanotubes. An alternative with great potential has emerged: classical molecular dynamics simulations (MD). MD Simulations offer the possibility to study macroscopic properties such as the density of phonon states (PDOS), power spectra, infrared spectrum, water absorption and others. From this point of view, the present study focuses on the distinction between the phases of anatase and rutile TiO2. The LAMMPS package is used to study both the structural properties by applying the radial distribution function (RDF) and the electromagnetic properties of these phases. Our efforts are focused on exploring the effect of temperature on the vibrational properties of TiO2 anatase nanotubes and an in-depth analysis of how the phononic softening phenomenon affects TiO2 nanostructures to improve the fundamental understanding in different dimensions and morphological configurations. A careful evaluation of the stability of TiO2 nanolamines and nanotubes at different temperatures is performed, as well as the adsorption of water on the nanosurface of TiO2, using three different water models.

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BACKGROUND: Postoperative delirium (PD) and subsyndromal delirium (PSSD) are frequent complications in older patients associated with poor long-term outcome. It has been suggested that certain electroencephalogram features may be capable of identifying patients at risk during surgery. Thus, the goal of this study was to characterize intraoperative electroencephalographic markers to identify patients prone to develop PD or PSSD. METHODS: We conducted an exploratory observational study in older patients scheduled for elective major abdominal surgery. Intraoperative 16 channels electroencephalogram was recorded, and PD/PSSD were diagnosed after surgery with the confusion assessment method (CAM). The total power spectra and relative power of alpha band were calculated. RESULTS: PD was diagnosed in 2 patients (6.7%), and 11 patients (36.7%) developed PSSD. All of them (13 patients, PD/PSSD group) were compared with patients without any alterations in CAM (17 patients, control group). There were no detectable power spectrum differences before anesthesia between both groups of patients. However, PD/PSSD group in comparison with control group had a lower intraoperative absolute alpha power during anesthesia (4.4 ± 3.8 dB vs. 9.6 ± 3.2 dB, p = 0.0004) and a lower relative alpha power (0.09 ± 0.06 vs. 0.21 ± 0.08, p < 0.0001). These differences were independent of the anesthetic dose. Finally, relative alpha power had a good ability to identify patients with CAM alterations in the ROC analysis (area under the curve 0.90 (CI 0.78-1), p < 0.001). DISCUSSION: In conclusion, a low intraoperative alpha power is a novel electroencephalogram marker to identify patients who will develop alterations in CAM - i.e., with PD or PSSD - after surgery.

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INTRODUCTION: Fetal heart rate and its variability during the course of gestation have been extensively researched. The overall reduction in heart rate and increase in fetal HRV is associated with fetal growth and the increase in neural integration. The increased complexity of the demands on the cardiovascular system leads to more variation in the temporal course of the heart rate which has been shown to be reflected in measures of complexity. The aim of this work was to investigate novel complexity measures with respect to their ability to quantify changes over gestational age in individual fetuses consistently and in a stable manner. METHODS: We examined 215 fetal magnetocardiograms (FMCG), each of 5 min duration, in 11 fetuses during the second and third trimesters (at least 10 data sets per fetus). From the FMCG we determined the fetal RR beat durations. For each 5 min time-series of RR intervals we then calculated Shannon entropy, high spectral entropy, high spectral Detrended Fluctuation Analysis, spectral Multi-Taper Method as well as the standard deviation and two commonly used complexity measures: Approximate Entropy and Sample Entropy. For each subject and HRV measure, we performed regression analysis with respect to gestational age. The coefficient of determination R² was used to estimate 'goodness-of-fit', the slope of the regression indicated the strength of the individual dependency on gestational age. RESULTS: We found that the new complexity measures do not outperform ApEn. CONCLUSION: This study has now rejected the hypothesis that the spectral complexity measures outperform those applied previously.

INTRODUÇÃO: A freqüência cardíaca fetal e da sua variabilidade durante o curso da gestação têm sido extensivamente pesquisada. A redução global da frequência cardíaca e aumento da VFC fetal está associada com o crescimento fetal e aumento da integração neural. O aumento da complexidade das exigências sobre o sistema cardiovascular conduz a uma maior variação no decurso temporal da frequência cardíaca o que foi mostrado para reflectir-se medidas de complexidade. O objetivo deste trabalho foi investigar medidas de complexidade novos em relação à sua capacidade de quantificar as mudanças ao longo da idade gestacional em fetos individuais de forma consistente e de forma estável. MÉTODO: Foram examinados 215 magnetocardiograms fetais (FMCG), cada um dos 5 min de duração, em 11 fetos durante o segundo e terceiro trimestres (pelo menos 10 conjuntos de dados por feto). A partir do grande consumo determinamos as durações RR batimento fetais. Para cada série temporal 5 min dos intervalos RR então calculada Shannon entropia, alta entropia espectral, alta espectral Destendenciada Análise Flutuação, espectral Multi-Taper Método, bem como o desvio padrão e duas medidas de complexidade comumente utilizados: aproximado Entropia e Amostra Entropia. Para cada medida assunto e HRV, foi realizada análise de regressão em relação à idade gestacional. O coeficiente de determinação R² foi usada para estimar a "o bem-of-fit", a inclinação da regressão indicou a força do indivíduo dependência da idade gestacional. RESULTADOS: Verificou-se que as novas medidas de complexidade não superar ApEn. CONCLUSÃO: Este estudo agora rejeitou a hipótese de que as medidas de complexidade espectrais superar os aplicados anteriormente.

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Based on the knowledge that sensory processing continues during sleep and that a relationship exists between sleep and learning, a new strategy for treatment of idiopathic subjective tinnitus, consisted of customized sound stimulation presented during sleep, was tested. It has been previously shown that this treatment induces a sustained decrease in tinnitus intensity; however, its effect on brain activity has not yet been studied. In this work, we compared the impact of sound stimulation in tinnitus patients in the different sleep stages. Ten patients with idiopathic tinnitus were treated with sound stimulation mimicking tinnitus during sleep. Power spectra and intra- and inter-hemispheric coherence of electroencephalographic waves from frontal and temporal electrodes were measured with and without sound stimulation for each sleep stage (stages N2 with sleep spindles; N3 with slow wave sleep and REM sleep with Rapid Eye Movements). The main results found were that the largest number of changes, considering both the power spectrum and wave׳s coherence, occurred in stages N2 and N3. The delta and theta bands were the most changed, with important changes also in coherence of spindles during N2. All changes were more frequent in temporal areas. The differences between the two hemispheres do not depend, at least exclusively, on the side where the tinnitus is perceived and, hence, of the stimulated side. These results demonstrate that sound stimulation during sleep in tinnitus patients׳ influences brain activity and open an avenue for investigating the mechanism underlying tinnitus and its treatment.