A structure-activity relationships based on an original molecular descriptors family method has been developed and applied on a sample of substituted 1,3,4thiadiazoleand 1,3,4-thiadiazoline-disulfonamides. Forty compounds were studied for their inhibition activity on carbonic anhydrase I. The molecular descriptors family was generated based on complex information obtained from compounds structu...

Criegee intermediates are important species formed during the ozonolysis of alkenes. Reaction of stabilized Criegee intermediates with various species like SO2 and NO2 may contribute significantly to tropospheric chemistry. In the laboratory, self-reaction can be an important loss pathway for Criegee intermediates and thus needs to be characterized to obtain accurate bimolecular reaction rate c...

The PLuTo scheduling algorithm is a well-known algorithm for automatic scheduling in the polyhedral compilation model. It seeks linearly independent affine partition mappings for each statement of a Static Control Program (SCoP), such that total communication is minimized. In this paper we show that this algorithm can be sensitive to the layout of the global constraint matrix thus resulting to ...

In standard wavelet methods, the empirical wavelet coefficients are thresholded term by term, on the basis of their individual magnitudes. Information on other coefficients has no influence on the treatment of particular coefficients. We propose and investigate a wavelet shrinkage method that incorporates information on neighboring coefficients into the decision making. The coefficients are con...

Fifty years ago, the optimization of thermoelectric devices was analyzed by considering the relation between optimal performances and local entropy production. Entropy is produced by the irreversible processes in thermoelectric devices. If these processes could be eliminated, entropy production would be reduced to zero, and the limiting Carnot efficiency or coefficient of performance would be o...

Multidimensional continuous-time Markov jump processes [Formula: see text] on [Formula: see text] form a usual set-up for modeling [Formula: see text]-like epidemics. However, when facing incomplete epidemic data, inference based on [Formula: see text] is not easy to be achieved. Here, we start building a new framework for the estimation of key parameters of epidemic models based on statistics ...