Orbital-free density functional theory (OFDFT) is both grounded in quantum physics and suitable for direct simulation of thousands of atoms. This article describes the application of OFDFT for materials research over roughly the past two decades, highlighting computational studies that would have been impractical (or impossible) to perform with other techniques. In particular, we review the growing body of simulations of solids and liquids that have been conducted with planewave-pseudopotential (or related) techniques. We also provide an updated account of the fundamentals of OFDFT, emphasizing aspects—such as nonlocal density functionals for computing the kinetic energy of noninteracting electrons—that enabled much of the application work. The article concludes with a discussion of the OFDFT frontier, which contains brief descriptions of other topics at the forefront of OFDFT research.

There is a phenomenon contributing to the current pattern of alcohol consumption among youngsters in Spain known as “botellon”. From research financed by the National Plan on Drugs (2004-2007), data of 6009 youngsters (14-25 years old) were collected from three Spanish cities. Only individuals who engage in intensive consumption of alcohol (n = 2807) have been included. The purpose of this work has been to identify the different types of consumers at risk through a cluster analysis and to establish a profile for each particular group.

Four groups were differentiated by age, gender, alcohol consumption and years of consumption. It was observed that adolescent students and university students of the same sex consume similar quantities of alcohol, and justify their consumption alluding to personal factors, whereas university students refer to issues related to control of leisure. The consumption by males is the highest, and they are the most likely to seek drunkenness. They associate to a lesser degree their consumption with the possibility of developing an addictive process. In general, all youngsters consider that their consumption will have no negative consequences. These results indicate the need to come up with different alternatives, addressing the particularities of each group.

The consumption of food and beverages containing high amounts of biogenic amines (BA) can have toxicological effects. BA found in foods and beverages are synthesized by the microbial decarboxylation of certain amino acids. This paper reports the concentrations of BAs in a number of commercial cheeses, as determined by HPLC. The cheeses studied were made from raw and pasteurized milk of different origin, and were subjected to different ripening periods. BA concentrations were lower in short ripening period than in long ripening period cheeses, and higher in cheeses made from raw milk than in those made from pasteurized milk. The highest BA concentrations were recorded in blue cheeses made from raw milk. Tyramine was the most commonly recorded and abundant BA. The presence of tyramine-producing bacteria was determined by PCR, and a good correlation obtained between the results of this method and tyramine detection by HPLC. These methods could be used to complement one another in the detection and quantification of tyramine in cheese prevention of tyramine accumulation in cheese.