C3H4: Theoretical study of structures and stabilities of isomers

The various isomers including stable structures, carbenes, and diradicals on the C₃H₄ surface have been investigated. The two carbenes propenylidene and cyclopropylidene have been found to have singlet ground states. Vinylmethylene is predicted to have a triplet ground state with a planar diradical type of structure. The syn and anti forms of this state are degenerate. This is in agreement with the observation of two triplet states in the electron spin resonance (ESR ) spectra. The π electrons are found to be delocalized over the three carbons. The singlet diradical structures are found to be more stable than the carbene structures, which retain the CH₂ (DOUBLE BOND) CH allylic structures. The orbital compositions of the frontier orbitals of all systems have been determined to examine the nature of these orbitals. © 1996 John Wiley & Sons, Inc.     

Effect of built-in mineral wool insulations durability on its thermal and mechanical performance

Journal of Thermal Analysis and Calorimetry - Energy efficient buildings are unimaginable without highly insulating thermal envelopes. Mineral wool among others is a popular material for thermal...     

Influence of Olive Pomace Blending on Antioxidant Activity: Additive,Synergistic, and Antagonistic Effects

Food innovation is moving rapidly and comprises new categories of food products and/or ingredients with a natural and ecological origin. Monocultivar olive pomaces, individually or combined, can be a source of natural bioactive compounds suitable for food or cosmetic applications. This work aimed to assess the phenolics content and antioxidant activity of four monocultivar olive pomaces (Arbosana, Koroneiki, Oliana, and Arbequina) and forty-nine blends prepared with different proportions of each. Additive, synergistic, and antagonistic effects were studied. Among the monocultivar pomaces, Koroneiki and Arbosana were the richest in total phenolics (~15 mg gallic acid eq./g). Most of the interactions found in the blends were additive or synergistic, while very few antagonistic effects were observed. The best results were obtained for those blends where the Koroneiki variety predominated: (i) 90% Koroneiki, 4.75% Oliana, 3.75% Arbequina, 1.5% Arbosana; (ii) 65% Koroneiki, 29% Oliana, 3.25% Arbequina, 2.75% Arbosana; and (iii) 85% Koroneiki, 8.75% Arbequina, 3.5% Arbosana, 2.75% Oliana. In sum, these combinations can be advantageous in comparison to the individual use of monocultivar pomaces, presenting a higher potential to be used as functional ingredients or for bioactive compounds extraction, having in view the obtention of natural preservatives or food/cosmetic formula enhancers.     

Endocrine disruption: molecular interactions of chlorpyrifos and its degradation products with estrogen receptor

Structural Chemistry - Chlorpyrifos is an extensively used organophosphate pesticide showing broad-spectrum effectiveness on various target pests. Long-term sublethal exposure to this pesticide is...     

Minerals in Pregnancy and Their Impact on Child Growth and Development

During pregnancy, women undergo metabolic and physiological changes, and their needs are higher, to maintain growth and development of the fetus. If the nutritional status of the expectant mother is not satisfactory, some maternal and neonatal complications can occur. In the second and third trimester of pregnancy, there is a reserve of nutrients in the fetus that can be utilized after birth; thereby, children present an accelerated growth in the first years of life, which is a proven response to the available nutrition pattern. However, if such a pattern is insufficient, there will be deficits during development, including brain function. Therefore, despite many recent published works about gestational nutrition, uncertainties still remain on the mechanisms of absorption, distribution, and excretion of micronutrients. Further elucidation is needed to better understand the impacts caused either by deficiency or excess of some micronutrients. Thus, to illustrate the contributions of minerals during prenatal development and in children, iodine, selenium, iron, zinc, calcium, and magnesium were selected. Our study sought to review the consequences related to gestational deficiency of the referred minerals and their impact on growth and development in children born from mothers with such deficiencies     

Hydrogenation Size-Selective Pt/Hollow Beta Catalysts

The aim of the present work is to synthesize a zeolite-based catalyst with a hollow morphology and highly dispersed metal nanoparticles (NPs) encapsulated inside the zeolite micropores. For this purpose, we have studied a treatment using tetraalkylammonium (TAA) bromides for the selective removal of a large Pt particle from the outer surface of a hollow Beta zeolite. TEM analysis reveals that we succeeded in the synthesis of a hollow beta zeolite single crystal with encapsulated particles, with a high dispersion of 50–60 %. The molecular-sieve-type mechanism of the obtained catalysts was evaluated in the model reaction of toluene and mesitylene catalytic hydrogenation. Thanks to the high dispersion. a 10-fold activity enhancement has been obtained with respect to hollow beta zeolites with encapsulated NPs recently described in the literature.