Abstract  Effects of sorbitan monostearate (Span 60) on prenatal and postnatal development of Slc:Wistar rat were examined. The material was administered by gavage during the whole gestation stage at dose levels a 500 and 1000 mg/kg/day. The results were as follows 1) Effect on the dams: In the treated groups, no significant changes were observed in their general appearance, fertility index, and number of corpora luteas and implants. 2) Effects on the fetuses: In the treated groups, no significant changes were observed in the number of liver fetuses and dead fetuses, sex ratio, body weight, external findings and skeletons. 3) Effects on the offspring: Body weight gain of offspring was suppressed slightly at a dose level of 1000 mg/kg. However, no alterations were observed in little size, viability index on the 4th day, lactation index, external findings and skeletons.

Abstract  In the 2010 Deepwater Horizon rig explosion and subsequent oil spill, five million barrels of oil were released into the Gulf over the course of several months. Part of the resulting emergency response was the unprecedented use of nearly two million gallons of surfactant dispersant at both the sea surface and well head, giving rise to previously untested conditions of high temperature gradients, high pressures, and flow conditions. To better understand the complex interfacial transport mechanisms that this dispersant poses, we develop a model surfactant-oil-aqueous system of Tween 80 (a primary component in the Corexit dispersant used in the Gulf), squalane, and both simulated seawater as well as deionized water. We measure surfactant adsorption dynamics to the oil-aqueous interface for a range of surfactant concentrations. Using techniques developed in our laboratory, we investigate the impact of convection, step changes in bulk concentration, and interfacial mechanics. We observe dynamic interfacial behavior that is consistent with a reorganization of surfactant at the interface. We demonstrate irreversible adsorption behavior of Tween 80 near a critical interfacial tension value, as well as measure the dilatational elasticity of equilibrium and irreversibly adsorbed layers of surfactant on the oil-aqueous interface. We report high values of the surface dilatational elasticity and surface dilatational viscosity, and discuss these results in terms of their impact regarding oil spill response measures.

Abstract  Molecular dynamics simulations of liquid squalane, C30H62, were performed, focusing in particular on the liquid-vacuum interface. These theoretical studies were aimed at identifying potentially reactive sites on the surface, knowledge of which is important for a number of inelastic and reactive scattering experiments. A united atom force field (Martin, M. G.; Siepmann, J. I. J. Phys. Chem. B 1999, 103, 4508-4517) was used, and the simulations were analyzed with respect to their interfacial properties. A modest but clearly identifiable preference for methyl groups to protrude into the vacuum has been found at lower temperatures. This effect decreases when going to higher temperatures. Additional simulations tracking the flight paths of projectiles directed at a number of randomly chosen surfaces extracted from the molecular dynamics simulations were performed. The geometrical parameters for these calculations were chosen to imitate a typical abstraction reaction, such as the reaction between ground-state oxygen atoms and hydrocarbons. Despite the preference for methyl groups to protrude further into the vacuum, Monte Carlo tracking simulations suggest, on geometric grounds, that primary and secondary hydrogen atoms are roughly equally likely to react with incoming gas-phase atoms. These geometric simulations also indicate that a substantial fraction of the scattered products is likely to undergo at least one secondary collision with hydrocarbon side chains. These results help to interpret the outcome of previous measurements of the internal and external energy distribution of the gas-phase OH products of the interfacial reaction between oxygen atoms and liquid squalane.

Abstract  Squalene is a linear triterpene that is extensively utilized as a principal component of parenteral emulsions for drug and vaccine delivery. In this review, the chemical structure and sources of squalene are presented. Moreover, the physicochemical and biological properties of squalene-containing emulsions are evaluated in the context of parenteral formulations. Historical and current parenteral emulsion products containing squalene or squalane are discussed. The safety of squalene-based products is also addressed. Finally, analytical techniques for characterization of squalene emulsions are examined.

Abstract  Replacement of dietary triglyceride by a saturated hydrocarbon, squalane, resulted in a significant reduction (up to 50%) of cholesterol absorption of control values. Squalane may be useful in the treatment of dietary hypercholesterolemia.

Abstract  A new isolate, Mycobacterium sp. strain P101, is capable of growth on methyl-branched alkanes (pristane, phytane, and squalane). Among ca. 10,000 Tn5- derived mutants, we characterized 2 mutants defective in growth on pristane or n-hexadecane. A single copy of Tn5 was found to be inserted into the coding region of mcr ( alpha -methylacyl coenzyme A [ alpha -methylacyl-CoA] racemase gene) in mutant P1 and into the coding region of mls (malate synthase gene) in mutant H1. Mutant P1 could not grow on methyl-branched alkanes. The recombinant Mcr produced in Escherichia coli was confirmed to catalyze racemization of (R)-2- methylpentadecanoyl-CoA, with a specific activity of 0.21 mu mol . min super(-1) . mg of protein super(-1). Real-time quantitative reverse transcriptase PCR analyses indicated that mcr gene expression was enhanced by the methyl-branched alkanes pristane and squalane. Mutant P1 used (S)-2-methylbutyric acid for growth but did not use the racemic compound, and growth on n-hexadecane was not inhibited by pristane. These results suggested that the oxidation of the methyl-branched alkanoic acid is inhibited by the (R) isomer, although the (R) isomer was not toxic during growth on n-hexadecane. Based on these results, Mcr is suggested to play a critical role in beta-oxidation of methyl-branched alkanes in MYCOBACTERIUM: On the other hand, mutant H1 could not grow on n-hexadecane, but it partially retained the ability to grow on pristane. The reduced growth of mutant H1 on pristane suggests that propionyl-CoA is available for cell propagation through the 2-methyl citric acid cycle, since propionyl-CoA is produced through beta-oxidation of pristane.

Abstract  We have investigated how the sun protection factor (SPF) of different types of sunscreen film varies with "standard" solar irradiation due to photochemical processes. We have used a combination of chemical actinometry, measurement and modelling to estimate the overall quantum yields for the photoprocesses occurring for avobenzone (AVB) and isopentylp-methoxycinnamate (MC) in either propane-1,2-diol (PG) or squalane (SQ) as solvent. Using the obtained parameters, we have developed models to calculate the evolution of the film spectra and derived SPF values for both non-scattering sunscreen films consisting of solutions of multiple UV filters and for highly scattering Pickering emulsion based sunscreen films. Model calculations for all films are in excellent agreement with film spectra measured as a function of irradiation time using different laboratory light sources. Finally, using the estimated parameters and experimentally validated models, we are able to quantitatively predict how the in vitro SPF values for different film types containing any set combination of UV filter concentrations will vary with time due to photochemical processes induced by irradiation with "standard" sunlight. This provides a useful tool for the rational design and optimisation of new sunscreen formulations. (C) 2016 Elsevier B.V. All rights reserved.

Abstract  The heterogeneous oxidation of organic aerosol by hydroxyl radicals (OH) can proceed through two general pathways: functionalization, in which oxygen functional groups are added to the carbon skeleton, and fragmentation, in which carbon-carbon bonds are broken, producing higher volatility, lower molecular weight products. An ongoing challenge is to develop a quantitative molecular description of these pathways that connects the oxidative evolution of the average aerosol properties (e.g. size and hygroscopicity) to the transformation of free radical intermediates. In order to investigate the underlying molecular mechanism of aerosol oxidation, a relatively compact kinetics model is developed for the heterogeneous oxidation of squalane particles by OH using free radical intermediates that convert reactive hydrogen sites into oxygen functional groups. Stochastic simulation techniques are used to compare calculated system properties over ten oxidation lifetimes with the same properties measured in experiment. The time-dependent average squalane aerosol mass, volume, density, carbon number distribution of scission products, and the average elemental composition are predicted using known rate coefficients. For functionalization, the calculations reveal that the distribution of alcohol and carbonyl groups is controlled primarily by the initial OH abstraction rate and to lesser extent by the branching ratio between secondary peroxy radical product channels. For fragmentation, the calculations reveal that the formation of activated alkoxy radicals with neighboring functional groups controls the molecular decomposition, particularly at high O/C ratios. This kinetic scheme provides a framework for understanding the oxidation chemistry of a model organic aerosol and informs parameterizations of more complex systems.

Abstract  The heterogeneous reactions of hydroxyl radicals (OH) with squalane and bis(2-ethylhexyl) sebacate (BES) particles are used as model systems to examine how distributions of reaction products evolve during the oxidation of chemically reduced organic aerosol. A kinetic model of multigenerational chemistry, which is compared to previously measured (squalane) and new (BES) experimental data, reveals that it is the statistical mixtures of different generations of oxidation products that control the average particle mass and elemental composition during the reaction. The model suggests that more highly oxidized reaction products, although initially formed with low probability, play a large role in the production of gas phase reaction products. In general, these results highlight the importance of considering atmospheric oxidation as a statistical process, further suggesting that the underlying distribution of molecules could play important roles in aerosol formation as well as in the evolution of key physicochemical properties such as volatility and hygroscopicity.