Synthesis and Theoretical Study of New Guanylated Cyclophosphazenes and Their Use in the CO2 Fixation into Styrene Carbonate

Three new guanylated cyclophosphazenes G1–G3 have been synthesized through the catalytic guanylation of three different bi, tetra and hexa (p-aminophenoxy)-cyclophosphazenes by using N,N’-diisopropylcarbodiimide as guanylating agent, ZnEt₂ as catalyst and dry tetrahydrofuran as solvent. The resulting products have been characterized by ¹H, ¹³C{¹H} and ³¹P{¹H} NMR spectroscopy. The hexaguanylated cyclophosphazenes exhibit a deep purple colour, unusual for this type of compounds. The electronic structure of these compounds was investigated by carrying out density functional calculations at PBE-D3(BJ)/TZP level of theory. The molecular structural analysis reveals that aromatic rings are stacked and time dependent density functional calculations show that a charge transfer electronic transition occurs between the aromatic rings which absorb light around 500–700 nm. Finally, the catalytic usefulness of guanylated cyclophosphazene compounds G1–G3 has been proven by the preparation of styrene carbonate from the reaction between styrene oxide and carbon dioxide.

     

Mechanochemical tuning of molecular weight distribution of styrene homopolymers as postpolymerization modification in solvent-free solid-state

Mechanochemical degradation by planetary ball milling (PM) is used for postpolymerization modification of styrene homopolymers (PS). A complete factorial design was chosen to study the effect of radical scavengers, milling time, initial molecular weight, and revolution radius (R_p), on the shape of molecular weight distributions (MWDs) of PS. Size-exclusion chromatography analysis shows the feasibility of fine-tuning MWD of PS at up to 40% conversion. Distributions ranged from unimodal to bimodal in a PM with R_p = 150 mm at different stage of milling, whereas in a PM with R_p of 60.8 mm the adjustment of unimodal distributions is achieved. Initial polydispersity is more important to develop bimodal distributions when compared with initial molecular weight. Fourier transform infrared and X-ray electron spectrometry analysis show some suppression of PS degradation and complete oxidation inhibition of macromolecular radicals with the incorporation of radical scavengers, which we considered as additional aids when adjusting the MWDs.     

Study on Composition Distribution and Ferromagnetism of Monodisperse FePt Nanoparticles

Monodisperse FePt nanoparticles with size of 4.5 and 6.0 nm were prepared by simultaneous reduction of platinum acetylacetonate and thermal decomposition of iron pentacarbonyl in benzylether. The crystallography structure, size, and composition of the FePt nanoparticles were examined by X-ray diffraction and transmission electron microscopy. Energy dispersive X-ray spectrometry measurements of individual particles indicate a broad compositional distribution in both the 4.5 and 6 nm FePt nanoparticles. The effects of compositional distribution on the phase-transition and magnetic properties of the FePt nanoparticles were investigated.     

Synthesis of planar inductors in low temperature co-fired ceramic technology

A simple bisection algorithm for the synthesis of planar inductors using a fast electromagnetic analysis algorithm is presented in this work. Both bisection and electromagnetic analysis algorithms are based on a set of heuristic and physical rules obtained from the study of the electromagnetic behavior of these planar devices. With this procedure, the benefits are two fold: (i) the number of iterations is kept moderately low in the synthesis loop, and (ii) the analysis at each iteration step is speed up without compromising accuracy. The algorithm is applied to the development of an inductor library for a low temperature co-fired ceramic process technology.     

3D Printing of a Thermo‐ and Solvatochromic Composite Material Based on a Cu(II)–Thymine Coordination Polymer with Moisture Sensing Capabilities

This work presents the fabrication of 3D‐printed composite objects based on copper(II) 1D coordination polymer ( CP1 ) decorated with thymine along its chains with potential utility as an environmental humidity sensor and as a water sensor in organic solvents. This new composite object has a remarkable sensitivity, ranging from 0.3% to 4% of water in organic solvents. The sensing capacity is related to the structural transformation due to the loss of water molecules that CP1 undergoes with temperature or by solvent molecules' competition, which induces significant change in color simultaneously. The CP1 and 3D printed materials are stable in air over 1 year and also at biological pHs (5–7), therefore suggesting potential applications as robust colorimetric sensors. These results open the door to generate a family of new 3D printed materials based on the integration of multifunctional coordination polymers with organic polymers.     

Water: A key resource in energy production

Water and energy are the key resources required for both economic and population growth, and yet both are increasingly scarce. The distribution of water takes large amounts of energy, while the production of energy requires large amounts of water in processes such as thermal plant cooling systems or raw materials extraction. This study analyzes the water needs for energy production in Spain according to the energy source sector (electricity, transportation or domestic) and process type (extraction and refining of raw materials or thermal plant use). Current and future water needs are quantified according to energy demand and technology mix evolution. Hypothetical scenarios that simulate the risks of promoting specific energy policies are also analyzed. Results show that the combination of energy resources used in Spain is projected to be more than 25% more water consumptive in 2030 than in 2005 under ceteris paribus conditions. Renewable energies are mixed in terms of their consequences on the water supply; wind power can reduce water withdrawal, while the biofuels production is a water-intensive process.     

Flour of hard bean (Phaseolus vulgaris) in the preparation of bread]

In order to utilize hardened beans, we proposed to find the method most indicated for the preparation of bean flour to determine their nutritional value, and to make bread of high industrial, nutritional quality, and good sensory characteristics, using blends of bean and wheat flours. Two types of flour were prepared, testing four soaking temperatures (22, 30, 40 and 50 degrees C) and two methods to remove the testa (under moist and dry conditions). At laboratory level, the dry testa removal method gave the best flour yields (mean = 85.8%) and the highest protein content (mean = 23.7%). Comparison between soaking temperature at 30 and 50 degrees C was not significant (alpha = 0.05). At pilot plant level, with soaking at 50 degrees C the flour yields were 58.0% for moist testa removal (H1) and 74.0% for dry removal (H2), with a protein content of 22.6% for H1 and 23.0% for H2. The H1 and H2 flours were added to wheat flour at 5, 10 and 15% for bread making. The addition of 5.0% gave breads with similar protein content and sensory characteristics to those of the control, wheat. A diet based on bean-flour bread resulted in greater weight gains than that with casein for gold hamsters. The study also demonstrated the importance of heat-treating of the bean flours, because when flour without previous heat treatment was administered, the animals lost weight and died. This effect was overcome by the process of baking the flours at 140 degrees C for four hours.     

Effect of oil composition on both adjuvant-induced arthritis and delayed hypersensitivity to purified protein derivative and peptidoglycans in various rat strains

Various risk factors were evaluated to explain a significantly greater incidence of coronary heart disease in men of Japanese ancestry resident in Hawaii compared with men resident in Japan. The independent predictors of incidence of coronary heart disease in both Japan and Hawaii were systolic blood pressure, serum cholesterol, relative weight and age. These factors appeared to influence incidence similarly in both areas because in each case the correlation coefficients for Japan and Hawaii did not differ significantly. The hypothesis that the greater incidence in Hawaii could be attributed to differences in levels of these risk factors was tested with the Walker-Duncan method. The four variable multiple logistic function describing the probability of coronary heart disease in Japan was applied to the cohort characteristics observed in Hawaii. The estimated incidence thus obtained was not significantly different from that actually observed in the men resident in Hawaii. Therefore the increased coronary risk profile in Hawaii compared with Japan can account for the greater incidence of coronary heart disease in the former. Current cigarette smoking was significantly related to the risk of coronary heart disease in Hawaii but not in Japan. This difference requires further investigation.