Synthesis of tacrine analogues derived from n-aryl-5-amino-4-cyanopyrazoles

Synthesis of eleven tacrine analogues derived from N-aryl-5-amino-4-cyanopyrazoles, by a Friedländer type reaction, is described. Their structures were confirmed by 1H and 13C NMR spectroscopy, elemental analysis and/or mass spectrometry.Fundação para a Ciência e Tecnologia and FEDER (POCTI-SFA-3-686

Simple deterministic dynamical systems with fractal diffusion coefficients

We analyze a simple model of deterministic diffusion. The model consists of a one-dimensional periodic array of scatterers in which point particles move from cell to cell as defined by a piecewise linear map. The microscopic chaotic scattering process of the map can be changed by a control parameter. This induces a parameter dependence for the macroscopic diffusion coefficient. We calculate the diffusion coefficent and the largest eigenmodes of the system by using Markov partitions and by solving the eigenvalue problems of respective topological transition matrices. For different boundary conditions we find that the largest eigenmodes of the map match to the ones of the simple phenomenological diffusion equation. Our main result is that the difffusion coefficient exhibits a fractal structure by varying the system parameter. To understand the origin of this fractal structure, we give qualitative and quantitative arguments. These arguments relate the sequence of oscillations in the strength of the parameter-dependent diffusion coefficient to the microscopic coupling of the single scatterers which changes by varying the control parameter.Comment: 28 pages (revtex), 12 figures (postscript), submitted to Phys. Rev.

Thomae type formulae for singular Z_N curves

We give an elementary and rigorous proof of the Thomae type formula for singular $Z_N$ curves. To derive the Thomae formula we use the traditional variational method which goes back to Riemann, Thomae and Fuchs.Comment: 22 page

Effective and flexible modeling approach to investigate various 3D Talbot carpets from a spatial finite mask

We present an effective modeling approach for a fast calculation of the Talbot carpet from an initially 2-dimensional mask pattern. The introduced numerical algorithm is based on a modified angular-spectrum method, in which it is possible to consider the border effects of the Talbot region from a mask with a finite aperture. The Bluestein’s fast Fourier transform (FFT) algorithm is applied to speed up the calculation. This approach allows as well to decouple the sampling points in the real space and the spatial frequency domain so that both parameters can be chosen independently. As a result an extended three-dimensional Talbot-carpet can be calculated with a minimized number of numerical steps and computation time, but still with high accuracy. The algorithm was applied to various 2-dimensional mask patterns and illumination setups. The influence of specific mask patterns to the resulting field intensity distribution is discussed

3-Amino-5-(piperidin-1-yl)thio­phene-2,4-dicarbonitrile

In the title compound, C11H12N4S, the thio­phene ring is roughly planar, with a maximum deviation of 0.012 (1) Å for the S atom, and makes a dihedral angle of 7.89 (8)° with the mean plane of the piperidine ring, which is in a chair conformation. The crystal packing is stabilized by pairs of centrosymmetric inter­molecular N—H⋯N hydrogen bonds, which results in the formation of a step-wise chain parallel to [10]

From surface roughness to crater formation in a 2D multi-scale simulation of ultrashort pulse laser ablation

Surface roughness plays a critical role in ultrashort pulse laser ablation, particularly for industrial applications using burst mode operations, multi-pulse laser processing, and the generation of laser-induced periodic surface structures. Hence, we address the impact of surface roughness on the resulting laser ablation topography, comparing predictions from a simulation model to experimental results. We present a comprehensive multi-scale simulation framework that first employs finite-difference-time-domain simulations for calculating the surface fluence distribution on a rough surface measured by atomic-force-microscopy followed by the two-temperature model coupled with hydrodynamic/solid mechanics simulation for the initial material heating. Lastly, a computational fluid dynamics model for material relaxation and fluid flow is developed and employed. Final state results of aluminum and AISI 304 stainless steel simulations demonstrated alignment with established ablation models and crater dimension prediction. Notably, Al exhibited significant optical scattering effects due to initial surface roughness of 15 nm—being 70 times below the laser wavelength -leading to localized, selective ablation processes and substantially altered crater topography compared to idealized conditions. Contrary, AISI 304 with Rqsurface roughness of 2 nm showed no difference. Hence, we highlight the necessity of incorporating realistic, material-specific surface roughness values into large-scale ablation simulations. Furthermore, the induced local fluence variations demonstrated the inadequacy of neglecting lateral heat transport effects in this context.Open Access funding enabled and organized by Projekt DEAL.Deutsche Forschungsgemeinschafthttp://dx.doi.org/10.13039/501100001659European Social Fundhttp://dx.doi.org/10.13039/501100004895Friedrich-Alexander-Universität Erlangen-Nürnberg (1041

Deep learning-assisted radiomics facilitates multimodal prognostication for personalized treatment strategies in low-grade glioma

Determining the optimal course of treatment for low grade glioma (LGG) patients is challenging and frequently reliant on subjective judgment and limited scientific evidence. Our objective was to develop a comprehensive deep learning assisted radiomics model for assessing not only overall survival in LGG, but also the likelihood of future malignancy and glioma growth velocity. Thus, we retrospectively included 349 LGG patients to develop a prediction model using clinical, anatomical, and preoperative MRI data. Before performing radiomics analysis, a U2-model for glioma segmentation was utilized to prevent bias, yielding a mean whole tumor Dice score of 0.837. Overall survival and time to malignancy were estimated using Cox proportional hazard models. In a postoperative model, we derived a C-index of 0.82 (CI 0.79-0.86) for the training cohort over 10 years and 0.74 (Cl 0.64-0.84) for the test cohort. Preoperative models showed a C-index of 0.77 (Cl 0.73-0.82) for training and 0.67 (Cl 0.57-0.80) test sets. Our findings suggest that we can reliably predict the survival of a heterogeneous population of glioma patients in both preoperative and postoperative scenarios. Further, we demonstrate the utility of radiomics in predicting biological tumor activity, such as the time to malignancy and the LGG growth rate

Ecosystem Services in Conservation Planning: Targeted Benefits vs. Co-Benefits or Costs?

There is growing support for characterizing ecosystem services in order to link conservation and human well-being. However, few studies have explicitly included ecosystem services within systematic conservation planning, and those that have follow two fundamentally different approaches: ecosystem services as intrinsically-important targeted benefits vs. substitutable co-benefits. We present a first comparison of these two approaches in a case study in the Central Interior of British Columbia. We calculated and mapped economic values for carbon storage, timber production, and recreational angling using a geographical information system (GIS). These ‘marginal’ values represent the difference in service-provision between conservation and managed forestry as land uses. We compared two approaches to including ecosystem services in the site-selection software Marxan: as Targeted Benefits, and as Co-Benefits/Costs (in Marxan's cost function); we also compared these approaches with a Hybrid approach (carbon and angling as targeted benefits, timber as an opportunity cost). For this analysis, the Co-Benefit/Cost approach yielded a less costly reserve network than the Hybrid approach (1.6% cheaper). Including timber harvest as an opportunity cost in the cost function resulted in a reserve network that achieved targets equivalently, but at 15% lower total cost. We found counter-intuitive results for conservation: conservation-compatible services (carbon, angling) were positively correlated with each other and biodiversity, whereas the conservation-incompatible service (timber) was negatively correlated with all other networks. Our findings suggest that including ecosystem services within a conservation plan may be most cost-effective when they are represented as substitutable co-benefits/costs, rather than as targeted benefits. By explicitly valuing the costs and benefits associated with services, we may be able to achieve meaningful biodiversity conservation at lower cost and with greater co-benefits