Researching in ancient engineering physical and chemical analysis in hidraulic roman mortars

Around ten years ago investigation of technical and material construction in Ancient Roma has advanced in favour to obtain positive results. This process has been directed to obtaining some dates based in chemical composition, also action and reaction of materials against meteorological assaults or post depositional displacements. Plenty of these dates should be interpreted as a result of deterioration and damage in concrete material made in one landscape with some kind of meteorological characteristics. Concrete mixture like calcium and gypsum mortars should be analysed in laboratory test programs, and not only with descriptions based in reference books of Strabo, Pliny the Elder or Vitruvius. Roman manufacture was determined by weather condition, landscape, natural resources and of course, economic situation of the owner. In any case we must research the work in every facts of construction. On the one hand, thanks to chemical techniques like X-ray diffraction and Optical microscopy, we could know the granular disposition of mixture. On the other hand if we develop physical and mechanical techniques like compressive strength, capillary absorption on contact or water behaviour, we could know the reactions in binder and aggregates against weather effects. However we must be capable of interpret these results. Last year many analyses developed in archaeological sites in Spain has contributed to obtain different point of view, so has provide new dates to manage one method to continue the investigation of roman mortars. If we developed chemical and physical analysis in roman mortars at the same time, and we are capable to interpret the construction and the resources used, we achieve to understand the process of construction, the date and also the way of restoration in future.

On the absorbance changes in the photocycle of the photoactive yellow protein: A quantum-chemical analysis

Spectral changes in the photocycle of the photoactive yellow protein (PYP) are investigated by using ab initio multiconfigurational second-order perturbation theory at the available structures experimentally determined. Using the dark ground-state crystal structure [Genick, U. K., Soltis, S. M., Kuhn, P., Canestrelli, I. L. & Getzoff, E. D. (1998) Nature (London) 392, 206–209], the ππ* transition to the lowest excited state is related to the typical blue-light absorption observed at 446 nm. The different nature of the second excited state (nπ*) is consistent with the alternative route detected at 395-nm excitation. The results suggest the low-temperature photoproduct PYPHL as the most plausible candidate for the assignment of the cryogenically trapped early intermediate (Genick et al.). We cannot establish, however, a successful correspondence between the theoretical spectrum for the nanosecond time-resolved x-ray structure [Perman, B., Šrajer, V., Ren, Z., Teng, T., Pradervand, C., et al. (1998) Science 279, 1946–1950] and any of the spectroscopic photoproducts known up to date. It is fully confirmed that the colorless light-activated intermediate recorded by millisecond time-resolved crystallography [Genick, U. K., Borgstahl, G. E. O., Ng, K., Ren, Z., Pradervand, C., et al. (1997) Science 275, 1471–1475] is protonated, nicely matching the spectroscopic features of the photoproduct PYPM. The overall contribution demonstrates that a combined analysis of high-level theoretical results and experimental data can be of great value to perform assignments of detected intermediates in a photocycle.