Simulation evaluation of Gibbs prior distributions for use in maximum a posteriori SPECT reconstructions

The effects of several of Gibbs prior distributions in terms of noise characteristics, edge sharpness, and overall quantitative accuracy of the final estimates obtained from an iterative maximum a posteriori (MAP) procedure applied to data from a realistic chest phantom are demonstrated. The effects of the adjustable parameters built into the prior distribution on these properties are examined. It is found that these parameter values influence the noise and edge characteristics of the final estimate and can generate reconstructions closer to the actual solution than maximum likelihood (ML). In addition, it is found that the choice of the shape of the prior distribution affects the noise characteristics and edge sharpness in the final estimate.     

Structural and kinetic studies on ligand binding in wild-type and active-site mutants of penicillin acylase

Penicillin acylase catalyses the condensation of Calpha-substituted phenylacetic acids with beta-lactam nucleophiles, producing semi-synthetic beta-lactam antibiotics. For efficient synthesis a low affinity for phenylacetic acid and a high affinity for Calpha-substituted phenylacetic acid derivatives is desirable. We made three active site mutants, alphaF146Y, betaF24A and alphaF146Y/betaF24A, which all had a 2- to 10-fold higher affinity for Calpha-substituted compounds than wild-type enzyme. In addition, betaF24A had a 20-fold reduced affinity for phenylacetic acid. The molecular basis of the improved properties was investigated by X-ray crystallography. These studies showed that the higher affinity of alphaF146Y for (R)-alpha-methylphenylacetic acid can be explained by van der Waals interactions between alphaY146:OH and the Calpha-substituent. The betaF24A mutation causes an opening of the phenylacetic acid binding site. Only (R)-alpha-methylphenylacetic acid, but not phenylacetic acid, induces a conformation with the ligand tightly bound, explaining the weak binding of phenylacetic acid. A comparison of the betaF24A structure with other open conformations of penicillin acylase showed that betaF24 has a fixed position, whereas alphaF146 acts as a flexible lid on the binding site and reorients its position to achieve optimal substrate binding.     

稀土永磁材料的抗辐照性能研究

对2:17型SmCo和NdFeB两种稀土永磁材料进行质子和中子辐照,测量辐照前后磁性能变化.发现辐照试验后,高内禀矫顽力SmCo材料磁性能未发生明显变化,低内禀矫顽力SmCo材料磁性能下降,降幅小于5％,NdFeB材料磁性能大幅下降,降幅大于30％.将辐照后磁性能大幅下降的磁体再次进行饱和磁化,磁体恢复到辐照前的性能.对辐照前后的SmCo和NdFeB样品进行XRD分析,发现两种材料的晶体结构在辐照后均未发生变化.     

Practical considerations for high spatial and temporal resolution dynamic transmission electron microscopy

Although recent years have seen significant advances in the spatial resolution possible in the transmission electron microscope (TEM), the temporal resolution of most microscopes is limited to video rate at best. This lack of temporal resolution means that our understanding of dynamic processes in materials is extremely limited. High temporal resolution in the TEM can be achieved, however, by replacing the normal thermionic or field emission source with a photoemission source. In this case the temporal resolution is limited only by the ability to create a short pulse of photoexcited electrons in the source, and this can be as short as a few femtoseconds. The operation of the photo-emission source and the control of the subsequent pulse of electrons (containing as many as 5 x 10(7) electrons) create significant challenges for a standard microscope column that is designed to operate with a single electron in the column at any one time. In this paper, the generation and control of electron pulses in the TEM to obtain a temporal resolution <10(-6)s will be described and the effect of the pulse duration and current density on the spatial resolution of the instrument will be examined. The potential of these levels of temporal and spatial resolution for the study of dynamic materials processes will also be discussed.     

Simulation of cardiovascular system diseases by including the autonomic nervous system into a minimal model

Diagnosing cardiovascular system (CVS) diseases from clinically measured data is difficult, due to the complexity of the hemodynamic and autonomic nervous system (ANS) interactions. Physiological models could describe these interactions to enable simulation of a variety of diseases, and could be combined with parameter estimation algorithms to help clinicians diagnose CVS dysfunctions. This paper presents modifications to an existing CVS model to include a minimal physiological model of ANS activation. A minimal model is used so as to minimise the number of parameters required to specify ANS activation, enabling the effects of each parameter on hemodynamics to be easily understood. The combined CVS and ANS model is verified by simulating a variety of CVS diseases, and comparing simulation results with common physiological understanding of ANS function and the characteristic hemodynamics seen in these diseases. The model of ANS activation is required to simulate hemodynamic effects such as increased cardiac output in septic shock, elevated pulmonary artery pressure in left ventricular infarction, and elevated filling pressures in pericardial tamponade. This is the first known example of a minimal CVS model that includes a generic model of ANS activation and is shown to simulate diseases from throughout the CVS.     

Integral invariants for shape matching

For shapes represented as closed planar contours, we introduce a class of functionals which are invariant with respect to the Euclidean group and which are obtained by performing integral operations. While such integral invariants enjoy some of the desirable properties of their differential counterparts, such as locality of computation (which allows matching under occlusions) and uniqueness of representation (asymptotically), they do not exhibit the noise sensitivity associated with differential quantities and, therefore, do not require presmoothing of the input shape. Our formulation allows the analysis of shapes at multiple scales. Based on integral invariants, we define a notion of distance between shapes. The proposed distance measure can be computed efficiently and allows warping the shape boundaries onto each other; its computation results in optimal point correspondence as an intermediate step. Numerical results on shape matching demonstrate that this framework can match shapes despite the deformation of subparts, missing parts and noise. As a quantitative analysis, we report matching scores for shape retrieval from a database.