Analysis of volatiles evolved during high-temperature treatment of thermally stable polymers. I. Nitrogen-containing acetylene-terminated resin

Cured samples of a nitrogen-containing acetylene-terminated resin, N,N′-(1,3-phenylene-dimethylidene)bis(3-ethynylaniline), have been heated at 10°C/min up to 900°C in a pyroprobe attached to a gas chromatograph/mass spectrometer (GC/MS). Analysis of the volatiles evolved during heating identified both gases and higher boiling compounds. The major higher boiling compounds are benzene, toluene, xylene, aniline, benzonitrile, m-methylaniline, and m-methylbenzonitrile; the gases include ammonia, methane, and traces of carbon dioxide. Correlations between sample temperature and the evolution of each of these compounds have been made. The onset of all volatile formation occurs between 450 and 500°C. The higher boiling volatiles peak, then end by approximately 700°C, while the gases peak then fall off but are still being evolved at 900°C. Average weight loss measurements of 13.6% at 700°C and 15.7% at 900°C agree with previously published thermogravimetric analysis (TGA) data. © 1993 John Wiley & Sons, Inc.     

Response analysis for identifying the origin of photo-modulated current contrasts in scanning tunneling microscopic imaging semiconductor surfaces

Inhomogeneities in semiconductor solids can be imaged by two-dimensional mapping of the amplitude of periodically modulated tip current in scanning tunneling microscopy that is induced by illumination of semiconductor samples with a chopped light. It has been shown that it is possible to distinguish between plural origins of the photo-modulated current by analyzing the response properties of the current signal. A judicial choice of the modulation frequency is important for the required contrasts to be obtained.     

Theophylline: Old Drug in a New Light,Application in COVID-19 through Computational Studies

Theophylline (3-methyxanthine) is a historically prominent drug used to treat respiratory diseases, alone or in combination with other drugs. The rapid onset of the COVID-19 pandemic urged the development of effective pharmacological treatments to directly attack the development of new variants of the SARS-CoV-2 virus and possess a therapeutical battery of compounds that could improve the current management of the disease worldwide. In this context, theophylline, through bronchodilatory, immunomodulatory, and potentially antiviral mechanisms, is an interesting proposal as an adjuvant in the treatment of COVID-19 patients. Nevertheless, it is essential to understand how this compound could behave against such a disease, not only at a pharmacodynamic but also at a pharmacokinetic level. In this sense, the quickest approach in drug discovery is through different computational methods, either from network pharmacology or from quantitative systems pharmacology approaches. In the present review, we explore the possibility of using theophylline in the treatment of COVID-19 patients since it seems to be a relevant candidate by aiming at several immunological targets involved in the pathophysiology of the disease. Theophylline down-regulates the inflammatory processes activated by SARS-CoV-2 through various mechanisms, and herein, they are discussed by reviewing computational simulation studies and their different applications and effects.     

Atmospheric DMSO degradation in the gas phase: Cl-DMSO reaction. Temperature dependence and products

The reactions of Cl atoms and ClO radicals with CH3-SOCH3 (DMSO) have been studied using the discharge flow method with direct detection of DMSO, CO, and products by mass spectrometry. The absolute rate constant at room temperature measured for reaction 1, (CH3)2SO + Cl --> products, was k(1) = (1.7 +/- 0.3) x 10(-11) cm3 molecule(-1) s(-1). For reaction 2, (CH3)2SO + ClO --> products, only an upper limit could be established, k(2) < or = 6 x 10(-14) cm3 molecule(-1) s(-1) Reaction 1 has been found to proceed through adduct formation and further decomposition involving the cleavage of the C-S bound. The pressure effect on the Cl-DMSO reaction from 0.5 to 3 Torr was negligible, and the temperature dependence in the range 273-335 K was also very slight. The results obtained are related to previous studies of sulfur compounds, and the atmospheric implications are also discussed in relation to the homogeneous sinks of DMSO. Tropospheric lifetimes of DMSO based on average Cl and ClO concentrations and the measured rate constants have been calculated showing that the contribution of reaction 1 must be of minor relevance in the marine boundary layer. Reaction 2 is so slow that it does not play any role within the atmospheric sulfur chemistry.     

Effect of air in the thermal decomposition of 50 mass% hydroxylamine/water

This paper presents experimental measurements of 50 mass% hydroxylamine (HA)/water thermal decomposition in air and vacuum environments using an automatic pressure tracking adiabatic calorimeter (APTAC). Overall kinetics, onset temperatures, non-condensable pressures, times to maximum rate, heat and pressure rates versus temperature, and mixture vapor pressures for the experiments in vacuum were similar when compared to the corresponding data for HA decomposition in air. Determined was an overall activation energy of 119+/-8 kJ/mol (29+/-2 kcal/mol), which is low compared to 257 kJ/mol (61.3 kcal/mol) required to break the H(2)N-OH bond reported in the literature. The availability of oxygen from air did not affect detected runaway decomposition products, which were H(2), N(2), N(2)O, NO, and NH(3), for samples run in vacuum or with air above the sample. A delta H(rxn) of -117 kJ/mol (28 kcal/mol) was estimated for the HA decomposition reaction under runaway conditions.     

Diet during pregnancy in relation to birthweight in healthy singletons

Both epidemiological and experimental studies have shown that physical exercise deserves particular attention in any consideration of approaches to the prevention of neoplasia, especially since it also exerts consistent beneficial effects on the other major chronic diseases prevalent in the Western world, atherosclerosis and non-insulin dependent diabetes mellitus (NIDDM). The organ sites for which strong evidence has been gained for a protective influence of exercise or an elevated risk with a sedentary existence include the colon, prostate, breast and endometrium. The underlying mechanisms appear to centre on the hormones insulin and oestrogen, serum elevation of both of these endocrine factors being associated with increased risk of neoplastic development. The immense potential benefit of an increased level of exercise in the general population suggests that commensurate measures should be taken in the field of cancer education.     

Electrochemical studies of carbon-rich polymer-derived SiCN ceramics as anode materials for lithium-ion batteries

The electrochemical behavior of poly(phenylvinylsilylcarbodiimide)-derived SiCN ceramics as anode material for lithium-ion batteries is reported here for the first time. The novel carbon-rich silicon carbonitride (SiCN) ceramics have been synthesized by the thermal treatment of poly(phenylvinylsilylcarbodiimide) under argon atmosphere at five temperatures, namely 1100, 1300, 1500, 1700 and 2000 °C. The SiCN electrodes were prepared without any conducting additives and were tested in electrochemical two electrodes cell using cyclic voltammetry and galvanostatic techniques. The capacity of the carbon-rich SiCN samples was found to be stable upon galvanostatic cycling and reaches almost 300 mAh/g for the sample prepared at 1300 °C with oxygen as the impurity. The dependence of the microstructure, especially of the crystallinity of the segregated carbon phase and of the oxygen impurities on the electrochemical behavior of the SiCN material, was analysed. At all temperatures of thermolysis, the free carbon phase has been identified as “soft carbon”.     

A delocalized carbanion monomer preparation: 4,5-dimethylene-1,8-octanediol for use as both functional condensation and diene monomers

Summary The 2,3-dimethylene-1,3-butadiene dianion (2), prepared from 2,3-dimethyl-1,3-butadiene (1) using Lochmann's base, has been reacted with ethylene oxide to give 4,5-dimethylene-1,8-octanediol (3). This monomer has been incorporated into a polyester via low temperature solution polymerization, and the resultant copolyester has been characterized by ¹H NMR, intrinsic viscosity, and DSC. Also, the free radically formed diene polymer of 3 has been investigated.     

An experimental investigation of the combustion of technical tetrachlorobenzene in a laboratory scale incinerator

An experimental study of the combustion of technical 1,2,3,4-tetrachlorobenzene has been carried out in conditions closely similar to those in incinerators of industrial hazardous wastes. A non-premixed flame fed by a fuel spray was stabilized in a reactor heated electrically. Measurements of axial and radial temperatures and species concentration profiles in well-defined conditions have been systematically repeated to specify the influence exerted by key parameters on the efficiency of the thermal degradation process. The reactor’s wall temperature was varied from 1223 to 1363 K. Air injection was distributed between axial and peripheral injectors to change the swirl intensity. Two fuel injectors have been compared to assess the influence of atomization efficiency. A methane-air pilot flame helped to anchor the flame and to decrease the overall Cl/H ratio. The latter was also decreased by addition of water vapor. Results show that conditions leading to a complete consumption of the fuel can be associated with very limited carbon conversion into CO₂ and chlorine conversion into HCl.