Flash lamp annealing (FLA) with millisecond pulse durations is reported as a novel curing method for pore precursor's degradation in thin films. A case study on the curing of dielectric thin films is ...presented. FLA-cured films are being investigated by means of positron annihilation spectroscopy (PAS) and Fourier-transform infrared (FTIR) spectroscopy in order to quantify the nm-scale porosity and post-treatment chemistry, respectively. Results from positron annihilation reveal the onset of the formation of porous voids inside the samples at 6 ms flash treatment time. Moreover, parameter's adjustment (flash duration and energy density) allows for identifying the optimum conditions of effective curing. Within such a systematic investigation, positron results indicate that FLA is able to decompose the porogen (pore precursors) and to generate interconnected (open porosity) or isolated pore networks with self-sealed pores in a controllable way. Furthermore, FTIR results demonstrate the structural evolution after FLA, that help for setting the optimal annealing conditions whereby only a residual amount of porogen remains and at the same time a well-densified matrix, and a hydrophobic porous structures are created. Raman spectroscopy suggests that the curing-induced self-sealing layer developed at the film surface is a graphene oxide-like layer, which could serve as the outside sealing of the pore network from intrusions.
In this study, we aim to develop a ReaxFF reactive force field for simulating the reaction mechanism of copper atomic layer deposition (ALD). To achieve this, we optimized the Cu/C, Cu/H, and Cu/N ...parameters of ReaxFF and extended the existing Cu potential to describe Cu/C/H/O/N interactions involved in Cu ALD. The parametrization procedure was implemented through an efficient multiparameter and parallel optimization scheme based on the Taguchi method. Using the newly developed Cu potential, we performed reactive molecular dynamics (RMD) simulations on an “abbreviated” ALD cycle using a Cu( i Pr-amd)2 ( i Pr-amd = N,N′-diisopropylacetamidinate) or Cu(dmap)2 (dmap = dimethylamino-2-propoxide) precursor with the H radical as a coreactant. In the first half-cycle, the Cu( i Pr-amd)2 precursor is found to adsorb dissociatively on the Cu surface as Cu( i Pr-amd) monomers. During the second half-cycle, H radicals partly eliminate precursor fragments to the gas phase, but some intermediates such as C5H12N2 and C2H4N remain on the surface and may become a source of contamination. On the other hand, the Cu(dmap)2 precursor dissociates into Cu(dmap) and dmap on the Cu surface. The second half-cycle is initiated through a hydrogen transfer reaction, which completely eliminates the dmap ligands to the gas phase. In general, our RMD simulations suggest that the surface chemistry of Cu(dmap)2 during the ALD is simpler and cleaner than that of Cu( i Pr-amd)2.
The exact causes of Idiopathic Environmental Intolerance Attributed to Electromagnetic Fields (IEI-EMF, i.e., experience of somatic symptoms attributed to low-level electromagnetic fields) are still ...unknown. Psychological causation such as nocebo effects seem plausible. This study aimed to experimentally induce a nocebo effect for somatic symptom perception and examined whether it was reproducible after one week. We also examined whether these effects were associated with increased sympathetic activity and whether interoceptive accuracy (IAcc) moderated these relationships. Participants were recruited from the general population and instructed that electromagnetic exposure can enhance somatosensory perception. They participated twice in a cued exposure experiment with tactile stimulation and sham WiFi exposure in 50% of trials. The two sessions were scheduled one week apart (session 1: N = 65, session 2: N = 63). Before session 1, participants watched either a 6-min film on adverse health effects of EMF or a neutral film on trade of mobile phones. IAcc was assessed with the heartbeat detection paradigm. Electrodermal activity served as a measure of sympathetic activation. Evidence for a nocebo effect (i.e., increased self-reported intensity and aversiveness and electrodermal activity) during sham WiFi exposure was observed in both sessions. IAcc moderated the nocebo effect, depending on stimulus intensity. Contrary to previous findings, no difference emerged between the health-related EMF and the neutral films. Based on negative instructions, somatic perception and physiological responding can be altered. This is consistent with the assumption that IEI-EMF could be due to nocebo effects, suggesting an important role for psychological interventions.
•The etiology of idiopathic environmental intolerance attributed to electromagnetic fields (IEI-EMF) is unknown.•Negative information on health effects of sham WiFi radiation induced nocebo effects.•During sham WiFi exposure somatosensation and electrodermal activity were increased.•Interoceptive accuracy moderated the nocebo effect, depending on stimulus intensity.•The nocebo effect was still detectable one week after its induction.
Oxygen saturation, a key indicator of COVID-19 severity, poses challenges, especially in cases of silent hypoxemia. Electronic health records (EHRs) often contain supplemental oxygen information ...within clinical narratives. Streamlining patient identification based on oxygen levels is crucial for COVID-19 research, underscoring the need for automated classifiers in discharge summaries to ease the manual review burden on physicians.
We analysed text lines extracted from anonymised COVID-19 patient discharge summaries in German to perform a binary classification task, differentiating patients who received oxygen supplementation and those who did not. Various machine learning (ML) algorithms, including classical ML to deep learning (DL) models, were compared. Classifier decisions were explained using Local Interpretable Model-agnostic Explanations (LIME), which visualize the model decisions.
Classical ML to DL models achieved comparable performance in classification, with an F-measure varying between 0.942 and 0.955, whereas the classical ML approaches were faster. Visualisation of embedding representation of input data reveals notable variations in the encoding patterns between classic and DL encoders. Furthermore, LIME explanations provide insights into the most relevant features at token level that contribute to these observed differences.
Despite a general tendency towards deep learning, these use cases show that classical approaches yield comparable results at lower computational cost. Model prediction explanations using LIME in textual and visual layouts provided a qualitative explanation for the model performance.
Hyperolid reed frogs are one of the few families of Anurans known to possess glands that emit volatile compounds used in chemical communication.
, a model species, possesses a gular gland on its ...vocal sac that emits chemicals, and sends visual and auditory signals during calling. Previous investigations have shown that the glandular compounds are typically macrocyclic lactones. However, in this work, we show that another major constituent of the male specific gland is (10
,1
,6
,7
,10
)-amorph-4-ene-10β-ol (1
,4
,4a
,8a
)-4-isopropyl-1,6-dimethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-ol. This compound was synthesized for the first time and has the opposite configuration to amorph-4-ene-10β-ol known from plants. A short synthesis using an organocatalytic approach through a tandem Mannich/intramolecular Diels-Alder reaction led to a mixture of cadinols, which was used for the assignment of the natural cadinol structures and their stereoisomers.
Infant autonomic reactivity to stress is a potential predictor of later life health complications, but research has not sufficiently examined sympathetic activity, controlled for effects of physical ...activity and respiration, or studied associations among autonomic adjustments, cardiac activity, and affect in infants. We studied 278 infants during the repeated Still‐Face Paradigm, a standardized stressor, while monitoring cardiac activity (ECG) and respiratory pattern (respiratory inductance plethysmography). Video ratings of physical activity and affect were also performed. Respiratory sinus arrhythmia (RSA) and T‐wave amplitude (TWA) served as noninvasive indicators of cardiac parasympathetic and sympathetic activity, respectively. Responses were compared between infants who completed two still‐face exposures and those who terminated after one exposure due to visible distress. Findings, controlled for physical activity, showed robust reductions in respiration‐adjusted RSA and TWA, with more tonic attenuation of TWA. Infants completing only one still‐face trial showed more pronounced autonomic changes and less recovery from stress. They also showed elevated minute ventilation, suggesting hyperventilation. Both reductions in adjusted RSA and TWA contributed equally to heart rate changes and were associated with higher negative and lower positive affect. These associations were more robust in the group of distressed infants unable to complete both still‐face trials. Thus, cardiac sympathetic activation and parasympathetic withdrawal are part of the infant stress response, beyond associated physical activity and respiration changes. Their association with cardiac chronotropy and affect increases as infants' distress level increases. This excess reactivity to social stress should be examined as a predictor of future cardiovascular disease.
Infants' cardiac autonomic activation in stress have not been explored fully regarding sympathetic contributions, and the role of physical activity and respiration. This study shows that 6‐month‐old infants challenged with a psychosocial stressor show reciprocal cardiac sympathetic activation and parasympathetic withdrawal beyond physical activity and respiratory pattern changes. Highly distressed infants also show signs of hyperventilation.
Background
Recently, recommendations were given for a new scoring of the Oral Health Impact Profile (OHIP). The original seven domain structure should be replaced by a four‐dimensional scale.
...Objectives
To investigate the effect of dental prosthetic treatment on the seven domains and the four‐dimensional scale of the OHIP‐G49/53 questionnaire.
Methods
Seventy four patients were grouped according their pre‐ and post‐treatment situation and the type of treatment they received. Patients completed the OHIP‐G49/53 questionnaire before prosthetic treatment (T0), and at 1 week (T1), 3 months (T2) and 6 months (T3) after treatment. Treatment effects on the seven domains and the four dimensions of the OHIP scale were analysed, and the oral health‐related quality of life (OHRQoL) was measured. Patients' expectations of their prosthetic treatment were also evaluated. Data were analysed using two‐way Mixed ANOVA, regression analysis, and Cronbach's alpha test with a level of significance of α ≤ .017.
Results
OHRQoL significantly improved following prosthetic treatment compared with baseline. The largest improvement was found between T0 and T1 evaluations (all p ≤ .001). Unlike the seven‐domain scale, the four OHIP dimensions demonstrated further significant improvements across the T1/T2/T3 evaluations (all p ≤ .017). Different pre‐treatment findings had different treatment effects on the four OHIP dimensions and seven OHIP domains. Patients' expectations were mainly fulfilled.
Conclusion
Compared with the seven‐domain scale, the four dimensions showed significant follow‐up changes, suggesting the four dimensions are suitable for evaluating treatment effects up to 6 months. Clinically meaningful effects of dental prosthetic treatment can be sensitively measured using the four‐dimensional OHIP scale.
Decrease in OHIP scores indicated an improvement of oral health related quality of life due to dental prosthetic treatment. Patients' expectations with regard to esthetics, oral functions, and stability and retention of dentures were fulfilled. Both OHIP scorings (seven domains and four‐dimensional scale) showed positive effects of dental treatment. The four‐dimensional scale sensitively revealed follow‐up changes in oral health related quality of life.
The synthesis of 1‐Fc‐ (3), 1‐Br‐6‐Fc‐ (5 a), 2‐Br‐7‐Fc‐ (7 a), 1,6‐Fc2‐ (5 b), 2,7‐Fc2‐pyrene (7 b), 3,6‐Fc2‐9,10‐phenanthrenedione (10), and 3,6‐Fc2‐9,10‐dimethoxyphenanthrene (12; ...Fc=Fe(η5‐C5H4)(η5‐C5H5)) is discussed. Of these compounds, 10 and 12 form 1D or 2D coordination polymers in the solid state. (Spectro)Electrochemical studies confirmed reversible Fc/Fc+ redox events between −130 and 160 mV. 1,6‐ and 2,7‐Substitution in 5 a (E°′=−130 mV) and 7 a (E°′=50 mV) influences the redox potentials, whereas the ones of 5 b and 7 b (E°′=20 mV) are independent. Compounds 5 b, 7 b, 10, and 12 show single Fc oxidation processes with redox splittings between 70 and 100 mV. UV/Vis/NIR spectroelectrochemistry confirmed a weak electron transfer between FeII/FeIII in mixed‐valent 5 b+ and 12+. DFT calculations showed that 5 b non‐covalently interacts with the single‐walled carbon nanotube (SWCNT) sidewalls as proven by, for example, disentangling experiments. In addition, CV studies of the as‐obtained dispersions confirmed exohedral attachment of 5 b at the SWCNTs.
Ferrocene complexes: The synthesis of 1‐Fc‐, 1‐Br‐6‐Fc‐, 2‐Br‐7‐Fc‐, 1,6‐Fc2‐, 2,7‐Fc2‐pyrene, 3,6‐Fc2‐9,10‐phenanthrenedione, and 3,6‐Fc2‐9,10‐dimethoxyphenanthrene (Fc=Fe(η5‐C5H4)(η5‐C5H5)) is discussed. Two of these compounds form 1D or 2D coordination polymers in the solid state. (Spectro)electrochemical studies confirmed reversible Fc/Fc+ redox events between −130 and 160 mV.
Contextual fear conditioning takes place if the occurrence of threat cannot be predicted by specific cues. As a consequence the context becomes the best predictor of the threat and later induces ...anxiety (sustained fear response). Previous studies suggest that both the amygdala and the hippocampus are crucial for contextual fear conditioning. First, we wanted to further elucidate the neuronal correlates of long-lasting contextual threat within a highly ecologically setting created in virtual reality (VR). Second, we wanted to distinguish between initial and sustained components of the anxiety response to a threatening situation. Twenty-four participants were guided through two virtual offices for 30s each. They received unpredictable electric stimuli (unconditioned stimulus, US) in one office (anxiety context, CXT+), but never in the second office (safety context, CXT−). Successful contextual fear conditioning was indexed by higher anxiety and enhanced US-expectancy ratings for CXT+ versus CXT−. Initial neural activity was assessed by modeling the onsets of both contexts, and sustained neural activity by considering the entire context duration (contrasts: CXT+ > CXT−). Amygdala and hippocampus revealed sustained activity. Initial and sustained activities were found in the middle temporal gyrus, and primary motor cortex (M1). Additional initial activity was obvious in orbitofrontal (OFC), dorsomedial (dmPFC), and dorsolateral prefrontal cortex (dlPFC). These results suggest that entering a threatening context initially induces conditioned fear reactions (M1), recall of contingency awareness (dlPFC), and explicit threat appraisal (dmPFC, OFC). While remaining in the threatening context might involve anxiety-like conditioned responses (amygdala, M1) and the generation of a spatial map to predict where and when a threatening event may occur (hippocampus). We conclude that in humans initial versus sustained anxiety responses triggered by a threat associated context are associated with distinguishable brain activation patterns involving a fear network and a “contingency-cognitive” network, respectively.
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