Project on comparison of structural parameters and electron density maps of oxalic acid dihydrate

Results obtained from four X-ray and five neutron data sets collected under a project sponsored by the Commission on Charge, Spin and Momentum Densities are analyzed by comparison of thermal parameters, positional parameters and X - N electron density maps. Three sets of theoretical calculations are also included in the comparison. Though several chemically significant features are reproduced in all the experimental density maps, differences in detail occur which caution against overinterpretation of the maps. Large differences between vibrational tensor elements Uij are observed which can often not be corrected by the scaling of all temperature parameters in a set. Positional parameters are reproducible to precisions of 0.001 Å or better. The biggest discrepancies between theoretical and experimental deformation density maps occurs in the lone-pair regions where peaks are higher in the theoretical maps. However, this comparison may be affected by inadequacies in the thermal-motion formalism which must be invoked before experimental and theoretical maps can be compared in a quantitative way

Di-μ-nitrosyl-bis­[(η5-penta­methyl­cyclo­penta­dien­yl)ruthenium(0)](Ru—Ru). Corrigendum

Corrigendum to Acta Cryst. (2007), E63, m2596

The inner membrane complex through development of Toxoplasma gondii and Plasmodium

Plasmodium spp. and Toxoplasma gondii are important human and veterinary pathogens. These parasites possess an unusual double membrane structure located directly below the plasma membrane named the inner membrane complex (IMC). First identified in early electron micrograph studies, huge advances in genetic manipulation of the Apicomplexa have allowed the visualization of a dynamic, highly structured cellular compartment with important roles in maintaining the structure and motility of these parasites. This review summarizes recent advances in the field and highlights the changes the IMC undergoes during the complex life cycles of the Apicomplexa

Perspective: On the relevance of slower-than-femtosecond time scales in chemical structural-dynamics studies

A number of examples illustrate structural-dynamics studies of picosecond and slower photo-induced processes. They include molecular rearrangements and excitations. The information that can be obtained from such studies is discussed. The results are complementary to the information obtained from femtosecond studies. The point is made that all pertinent time scales should be covered to obtain comprehensive insight in dynamic processes of chemical and biological importance

SUNY beamline facilities at the National Synchrotron Light Source (Final Report)

The DOE sponsored SUNY synchrotron project has involved close cooperation among faculty at several SUNY campuses. A large number of students and postdoctoral associates have participated in its operation which was centered at the X3 beamline of the National Synchrotron Light Source at Brookhaven National Laboratory. Four stations with capabilities for Small Angle Scattering, Single Crystal and Powder and Surface diffraction and EXAFS were designed and operated with capability to perform experiments at very low as well as elevated temperatures and under high vacuum. A large amount of cutting-edge science was performed at the facility, which in addition provided excellent training for students and postdoctoral scientists in the field