Why is the Topological Approach in Chemistry so Successful?

Graph theory has been used in chemistry to describe molecular structures, chemical reactions, and it has been particularly widely used in studies of the structure property relationship. On the other hand, the quantum mechanical approach to the molecular structure also leads to expressions that offer descriptions of molecular properties. Little effort was made in the past to combine the two approaches and investigate how an approximate description of molecular properties relates to the electronic structure of chemical compounds as computed from the quantum chemical stand point. We present a graph theoretical scheme for calculation of the heat of formation of saturated compounds, based on quantum mechanically calculated atomic charges

Aircraft Regional-Scale Flux Measurements over Complex Landscapes of Mangroves, Desert, and Marine Ecosystems of Magdalena Bay, Mexico

Natural ecosystems are rarely structurally simple or functionally homogeneous. This is true for the complex coastal region of Magdalena Bay, Baja California Sur, Mexico, where the spatial variability in ecosystem fluxes from the Pacific coastal ocean, eutrophic lagoon, mangroves, and desert were studied. The Sky Arrow 650TCN environmental research aircraft proved to be an effective tool in characterizing land–atmosphere fluxes of energy, CO2, and water vapor across a heterogeneous landscape at the scale of 1 km. The aircraft was capable of discriminating fluxes from all ecosystem types, as well as between nearshore and coastal areas a few kilometers distant. Aircraft-derived average midday CO2 fluxes from the desert showed a slight uptake of −1.32 μmol CO2 m−2 s−1, the coastal ocean also showed an uptake of −3.48 μmol CO2 m−2 s−1, and the lagoon mangroves showed the highest uptake of −8.11 μmol CO2 m−2 s−1. Additional simultaneous measurements of the normalized difference vegetation index (NDVI) allowed simple linear modeling of CO2 flux as a function of NDVI for the mangroves of the Magdalena Bay region. Aircraft approaches can, therefore, be instrumental in determining regional CO2 fluxes and can be pivotal in calculating and verifying ecosystem carbon sequestration regionally when coupled with satellite-derived products and ecosystem models

Development of a completely encapsulated intraocular pressure sensor

A completely encapsulated intraocular pressure (IOP) sensor equipped with telemetric signal and energy transfer is introduced integrated into a silicone disc for implantation into the eye. After implantation into enucleated pig eyes and into rabbit eyes in vivo, the IOP was recorded and compared to established techniques of IOP measurement. Pressure chamber tests showed that the sensor functioned correctly after biocompatible encapsulation in polydimethylsiloxane. In vivo and in vitro tests in rabbit and pig eyes demonstrated that the implanted system worked with the same precision as established techniques for IOP determination. The correlation between the measurements with the implanted device and pneumotonometry in several experiments was between 0.9 and 0.99. This device serves as a functioning model for the realization of a telemetric IOP sensor for integration into an artificial intraocular lens. Such a device will open new perspectives, not only in the management of glaucoma, but also in basic research for mechanisms of glaucoma