On the onset of fracture as a silicon-based polymer converts into the ceramic phase

Silicon-based polymers evolve into refractory ceramics when heated gradually up to ~1000°C. The conversion is accompanied by the loss of gaseous species, and by a two-fold increase in density. The shrinkage can produce microcracks if the heating rate is too high, or if the specimen is too thick. This communication builds on earlier work whereby the measurement of gas evolution, and its relationship with viscous flow, are related to the onset of fracture in disk-shaped green (polymer) samples. The onset is determined as a function of the thickness of the disks, and of the heating rate. The results are presented in the form of a processing map. The overlay with gas evolution, and strain-rate measurements, suggest that fracture initiates with the release of hydrogen and methane, starting at temperatures near 750°C.     

The Impact of Nonalcoholic Fatty Liver Disease on Renal Function in Children with Overweight/Obesity

The association between nonalcoholic fatty liver disease (NAFLD) and chronic kidney disease has attracted interest and attention over recent years. However, no data are available in children. We determined whether children with NAFLD show signs of renal functional alterations, as determined by estimated glomerular filtration rate (eGFR) and urinary albumin excretion. We studied 596 children with overweight/obesity, 268 with NAFLD (hepatic fat fraction ≥5% on magnetic resonance imaging) and 328 without NAFLD, and 130 healthy normal-weight controls. Decreased GFR was defined as eGFR < 90 mL/min/1.73 m². Abnormal albuminuria was defined as urinary excretion of ≥30 mg/24 h of albumin. A greater prevalence of eGFR < 90 mL/min/1.73 m² was observed in patients with NAFLD compared to those without liver involvement and healthy subjects (17.5% vs. 6.7% vs. 0.77%; p < 0.0001). The proportion of children with abnormal albuminuria was also higher in the NAFLD group compared to those without NAFLD, and controls (9.3% vs. 4.0% vs. 0; p < 0.0001). Multivariate logistic regression analysis revealed that NAFLD was associated with decreased eGFR and/or microalbuminuria (odds ratio, 2.54 (confidence interval, 1.16–5.57); p < 0.05) independently of anthropometric and clinical variables. Children with NAFLD are at risk for early renal dysfunction. Recognition of this abnormality in the young may help to prevent the ongoing development of the disease.     

Influence of free carbon on the Young's modulus and hardness of polymer-derived silicon oxycarbide glasses

Silicon oxycarbide (SiOC) glasses in the form of thin, dense, and crack-free samples were fabricated according to the polymer pyrolysis route starting from cross-linked polysiloxane. The amount of free carbon in the final SiOC materials was varied in the range 18-60 vol%. The mechanical properties of the SiOC glasses were measured by nanoindentaion technique and revealed that both the Young's modulus and the hardness decrease with increase in the free carbon content and follow a simple rule of mixtures model.     

PolyMorph: Increasing the Spelling Efficiency of P300 by Selection Matrix PolyMorphism and Sentence-Based Predictions

One application of the P300 brain electric signal is sentence spelling, which enables subjects who have lost control of their motor pathways to communicate by selecting characters in a matrix containing all alphabet symbols. This technology still suffers from both low communication/high error rates. A P300 speller, named PolyMorph, which jointly introduces the selection matrix polymorphism (reducing the matrix size by removing useless symbols) and sentence-based predictions (which forecast words on the basis of language statistics) is presented. This is accomplished by using a custom dynamic knowledge-base, tailored to the subject lexicon, and updated in real time with the selections of the subject. The effectiveness of the presented speller is measured in vivo and in silico. The results suggest that the use of PolyMorph increases the number of spelt characters per time unit and reduces the error rate.     

N-(Anilinoethyl)amide Melatonergic Ligands with Improved Water Solubility and Metabolic Stability

The MT₂-selective melatonin receptor ligand UCM765 (N-(2-((3-methoxyphenyl)(phenyl)amino)ethyl)acetamide), showed interesting sleep inducing, analgesic and anxiolytic properties in rodents, but suffers from low water solubility and modest metabolic stability. To overcome these limitations, different strategies were investigated, including modification of metabolically liable sites, introduction of hydrophilic substituents and design of more basic derivatives. Thermodynamic solubility, microsomal stability and lipophilicity of new compounds were experimentally evaluated, together with their MT₁ and MT₂ binding affinities. Introduction of a m-hydroxymethyl substituent on the phenyl ring of UCM765 and replacement of the replacement of the N,N-diphenyl-amino scaffold with a N-methyl-N-phenyl-amino one led to highly soluble compounds with good microsomal stability and receptor binding affinity. Docking studies into the receptor crystal structure provided a rationale for their binding affinity. Pharmacokinetic characterization in rats highlighted higher plasma concentrations for the N-methyl-N-phenyl-amino derivative, consistent with its improved microsomal stability and makes this compound worthy of consideration for further pharmacological investigation.     

Experimental methods in chemical engineering: X-ray absorption spectroscopy—XAS,XANES, EXAFS

Although X-ray absorption spectroscopy (XAS) was conceived in the early 20th century, it took 60 years after the advent of synchrotrons for researchers to exploit its tremendous potential. Counterintuitively, researchers are now developing bench type polychromatic X-ray sources that are less brilliant to measure catalyst stability and work with toxic substances. XAS measures the absorption spectra of electrons that X-rays eject from the tightly bound core electrons to the continuum. The spectrum from 10 to 150 eV (kinetic energy of the photoelectrons) above the chemical potential—binding energy of core electrons—identifies oxidation state and band occupancy (X-ray absorption near edge structure, XANES), while higher energies in the spectrum relate to local atomic structure like coordination number and distance, Debye-Waller factor, and inner potential correction (extended X-ray absorption fine structure, EXAFS). Combining XAS with complementary spectroscopic techniques like Raman, Fourier transform infrared (FTIR), X-ray photoelectron spectroscopy (XPS), and electron paramagnetic resonance (EPR) elucidates the nature of the chemical bonds at the catalyst surface to better understand reaction mechanisms and intermediates. Because synchrotrons continue to be the light source of choice for most researchers, the number of articles Web of Science indexes per year has grown from 1000 in 1991 to 1700 in 2020. Material scientists and physical chemists publish an order of magnitude articles more than chemical engineers. Based on a bibliometric analysis, the research comprises five clusters centred around: electronic and optical properties, oxidation and hydrogenation catalysis, complementary analytical techniques like FTIR, nanoparticles and electrocatalysis, and iron, metals, and complexes.     

Single passage in mouse organs enhances the survival and spread of Salmonella enterica

Intravenous inoculation of Salmonella enterica serovar Typhimurium into mice is a prime experimental model of invasive salmonellosis. The use of wild-type isogenic tagged strains (WITS) in this system has revealed that bacteria undergo independent bottlenecks in the liver and spleen before establishing a systemic infection. We recently showed that those bacteria that survived the bottleneck exhibited enhanced growth when transferred to naive mice. In this study, we set out to disentangle the components of this in vivo adaptation by inoculating mice with WITS grown either in vitro or in vivo. We developed an original method to estimate the replication and killing rates of bacteria from experimental data, which involved solving the probability-generating function of a non-homogeneous birth–death–immigration process. This revealed a low initial mortality in bacteria obtained from a donor animal. Next, an analysis of WITS distributions in the livers and spleens of recipient animals indicated that in vivo-passaged bacteria started spreading between organs earlier than in vitro-grown bacteria. These results further our understanding of the influence of passage in a host on the fitness and virulence of Salmonella enterica and represent an advance in the power of investigation on the patterns and mechanisms of host–pathogen interactions.     

Optical and electrical characterization of carbon nanoparticles produced in laminar premixed flames

Optical and electrical properties of carbonaceous particles produced in laboratory scale, premixed ethylene/air flames are obtained. Light absorption and Raman spectroscopy show that the change in particle nanostructure follows a graphitization trajectory as the flame richness increases. The optical band gap decreases and the size of the aromatic network in the particle increases, while the interlayer spacing between parallel layers decreases. The electrical conductivity of the materials increases by increasing flame richness in agreement to the graphitization trajectory. A non-ohmic behavior has been found and explained in terms of electron tunneling in a percolative network. Our results show that the electrical properties of flame formed carbon nanoparticles are strongly dependent on their nanostructure, and hence they have to be used carefully for the determination of particle concentration with conductometric sensors. Moreover, the dependence of the electrical properties of combustion formed particles might be useful for the development of cheap sensors for the selective detection of different classes of combustion aerosols.