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1.
Entropy (Basel) ; 24(1)2021 Dec 30.
Artículo en Inglés | MEDLINE | ID: mdl-35052094

RESUMEN

BACKGROUND: Electronic fetal monitoring (EFM) is the universal method for the surveillance of fetal well-being in intrapartum. Our objective was to predict acidemia from fetal heart signal features using machine learning algorithms. METHODS: A case-control 1:2 study was carried out compromising 378 infants, born in the Miguel Servet University Hospital, Spain. Neonatal acidemia was defined as pH < 7.10. Using EFM recording logistic regression, random forest and neural networks models were built to predict acidemia. Validation of models was performed by means of discrimination, calibration, and clinical utility. RESULTS: Best performance was attained using a random forest model built with 100 trees. The discrimination ability was good, with an area under the Receiver Operating Characteristic curve (AUC) of 0.865. The calibration showed a slight overestimation of acidemia occurrence for probabilities above 0.4. The clinical utility showed that for 33% cutoff point, missing 5% of acidotic cases, 46% of unnecessary cesarean sections could be prevented. Logistic regression and neural networks showed similar discrimination ability but with worse calibration and clinical utility. CONCLUSIONS: The combination of the variables extracted from EFM recording provided a predictive model of acidemia that showed good accuracy and provides a practical tool to prevent unnecessary cesarean sections.

2.
Inorg Chem ; 53(7): 3449-55, 2014 Apr 07.
Artículo en Inglés | MEDLINE | ID: mdl-24635036

RESUMEN

A new triphenylene-imine (ImH) and its ortho-palladated complexes (µ-X)2[Pd2Im2] (X = CH3COO(-), Cl(-), Br(-)), (µ-Cl)(µ-SCnH2n+1)[Pd2Im2] (n = 6, 12), [PdIm(acac)] [PdIm Cl(CNC6H4OC12H25)], [PdImCl(CNC6H3(OC12H25)2)], and [PdImCl(CNC6H2(OC12H25)3)] have been prepared. The free imine ligand is not a liquid crystal, but most ortho-metalated dinuclear palladium complexes and the mononuclear trialkoxyphenyl isocyanide derivative display columnar mesophases at temperatures close to ambient. For the dimeric complexes the mesophase obtained is always columnar rectangular (Colr), with an uncommon structure: the dimeric triphenylene-Pd complex-triphenylene molecules give rise to a triple-column stacking consisting of two columns of stacked triphenylene groups connected to a central column formed by stacking of two ortho-palladated dimeric moieties. For the trialkoxyphenyl isocyanide derivative a related polymer-like arrangement of columns alternating stacking of triphenylenes with stacking of two ortho-palladated dimeric moieties is found. The mesophase structure is columnar oblique (Colob). The free imine and all palladium complexes exhibit fluorescence at room temperature in dichloromethane solution, associated with the triphenylene core.

3.
J Am Chem Soc ; 134(39): 16298-306, 2012 Oct 03.
Artículo en Inglés | MEDLINE | ID: mdl-22909407

RESUMEN

A laterally azo-bridged trimer ferroelectric liquid crystal (FLC) incorporating a strong chromophore along its polar axis was synthesized and characterized by polarized-light optical microscopy, differential scanning calorimetry, two-dimensional X-ray diffraction analysis, electro-optical measurements, and nonlinear optical (NLO) investigations. This mesogen exhibits a thermodynamically stable enantiotropic SmC* phase and a bistable ferroelectric switching in a surface stabilized cell with bookshelf geometry. It gives the resonance-enhanced d(22) coefficient of 28 pm V(-1) (λ = 1.369 µm) for second harmonic generation (SHG), the largest NLO susceptibility reported to date for all FLCs. At the same wavelength, a new type of helicoidal phase matching assisted by the helical SmC* structure was identified. When the second harmonic wavelength of 780 nm is far away from the resonance wavelength (λ(max) = 572 nm), the d(22) coefficient is reduced to 6.8 pm V(-1) (λ = 1.56 µm). In addition to a strong SHG activity, the trimer also shows a strong third harmonic generation (THG) with an estimated third-order nonlinear susceptibility of χ((3)) = ~3 × 10(-11) esu (λ = 1.56 µm), among the largest χ((3)) value reported from THG measurements for liquid crystals. This work enables viable applications of FLCs in nonlinear optics and offers an innovative approach to develop new FLCs with larger NLO strength.

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