ABSTRACT
Ab initio studies on CHx(OH)4-x (x = 0-3) polyols are carried out to derive their structural and spectroscopic features. Several stereoisomers (both equilibrium structures and transition states) are found. Some are predicted here for the first time. We determined hence their geometrical parameters, vibrational frequencies, electronic excitation energies for the singlet manifold, and IR spectra. While the IR spectra for all polyols present similar shapes, their UV spectra exhibit however distinct band origin that are specific to each polyol and more interestingly to each diasteroisomer. Stereoelectronic effects are also noticed and discussed. It is suggested that UV spectroscopy is an efficient probe to experimentally identify polyols in mixtures involving polyols.
ABSTRACT
Multimodality image registration is a critical issue in image-guided cancer ablation techniques. Focal therapies of prostate cancer are usually monitored using ultrasound imaging, while the dose planning is performed on MRI. In this study, a new multimodality images registration and deformation method, based on the Thin Plate Splines -Rigid Point Matching (TPS-RPM) algorithm, is introduced. The Method combines non-rigid mapping and interpolation to deform the images. Preliminary results obtained on phantom and clinical images showed that the registration is accurate and robust against landmarks initialization.
Subject(s)
Algorithms , Magnetic Resonance Imaging/methods , Pattern Recognition, Automated/methods , Prostatic Neoplasms/therapy , Subtraction Technique , Therapy, Computer-Assisted/methods , Ultrasonography/methods , Humans , Image Enhancement/methods , Image Interpretation, Computer-Assisted/methods , Male , Pilot Projects , Reproducibility of Results , Sensitivity and SpecificityABSTRACT
To obtain a standardized method for performance capacity assessment in social medicine reference to a generally accepted model of performance capacity is necessary. Further, such a model enables description of the effects of chronic disease on performance capacity. This article describes how the term "performance capacity" can be reduced to operational basal parameters by a hierarchic breakdown, with the domain "physical performance capacity" having the most complex structure. Furthermore the construction of a graduation according to work-load taxonomies for every parameter is shown. The collection of data on the level of basal parameters is essential to assess the concrete performance capacity. To apply the model as a basis for estimating the effects of chronic disease, graduated disease features have to be created. The benefit of the procedure described lies in increased transparency of the decision process. Hence, performance capacity assessment will gain reliability and objectivity.
