Prediction of Multi-Target Networks of Neuroprotective Compounds with Entropy Indices and Synthesis, Assay, and Theoretical Study of New Asymmetric 1,2-Rasagiline Carbamates

In a multi-target complex network, the links (L-ij) represent the interactions between the drug (d(i)) and the target (t(j)), characterized by different experimental measures (K-i, K-m, IC50, etc.) obtained in pharmacological assays under diverse boundary conditions (c(j)). In this work, we handle Shannon entropy measures for developing a model encompassing a multi-target network of neuroprotective/neurotoxic compounds reported in the CHEMBL database. The model predicts correctly >8300 experimental outcomes with Accuracy, Specificity, and Sensitivity above 80%-90% on training and external validation series. Indeed, the model can calculate different outcomes for >30 experimental measures in >400 different experimental protocolsin relation with >150 molecular and cellular targets on 11 different organisms (including human). Hereafter, we reported by the first time the synthesis, characterization, and experimental assays of a new series of chiral 1,2-rasagiline carbamate derivatives not reported in previous works. The experimental tests included: (1) assay in absence of neurotoxic agents; (2) in the presence of glutamate; and (3) in the presence of H2O2. Lastly, we used the new Assessing Links with Moving Averages (ALMA)-entropy model to predict possible outcomes for the new compounds in a high number of pharmacological tests not carried out experimentally.

Extended bidirectional reflectance distribution function for polarized light scattering from subsurface defects under a smooth surface

By introducing the scattering probability of a subsurface defect (SSD) and statistical distribution functions of SSD radius, refractive index, and position, we derive an extended bidirectional reflectance distribution function (BRDF) from the Jones scattering matrix. This function is applicable to the calculation for comparison with measurement of polarized light-scattering resulting from a SSD. A numerical calculation of the extended BRDF for the case of p-polarized incident light was performed by means of the Monte Carlo method. Our numerical results indicate that the extended BRDF strongly depends on the light incidence angle, the light scattering angle, and the out-of-plane azimuth angle. We observe a 180 degrees symmetry with respect to the azimuth angle. We further investigate the influence of the SSD density, the substrate refractive index, and the statistical distributions of the SSD radius and refractive index on the extended BRDF. For transparent substrates, we also find the dependence of the extended BRDF on the SSD positions. (c) 2006 Optical Society of America.

A note on the von Bertalanffy growth function concerning the allocation of surplus energy to reproduction

We propose an extended form of the von Bertalanffy growth function (VBGF), where the allocation of surplus energy to reproduction is considered. Any function can be used in our model to describe the ratio of energy allocation for reproduction to that for somatic growth. As an example, two models for energy allocation were derived: a step-function and a logistic function. The extended model can jointly describe growth in adult and juvenile stages. The change in growth rate between the two stages can be either gradual or steep; the latter gives a biphasic VBGF. The results of curve fitting indicated that a consideration of reproductive energy is meaningful for model extension. By controlling parameter values, our comprehensive model gives various growth curve shapes ranging from indeterminate to determinate growth. An increase in the number of parameters is unavoidable in practical applications of this new model. Additional information on reproduction will improve the reliability of model estimates.

Effects of rapid decompression and exposure to bright light on visual function in black rockfish (Sebastes melanops) and Pacific halibut (Hippoglossus stenolepis)

Demersal fishes hauled up from depth experience rapid decompression. In physoclists, this can cause overexpansion of the swim bladder and resultant injuries to multiple organs (barotrauma), including severe exophthalmia (“pop-eye”). Before release, fishes can also be subjected to asphyxia and exposure to direct sunlight. Little is known, however, about possible sensory deficits resulting from the events accompanying capture. To address this issue, electroretinography was used to measure the changes in retinal light sensitivity, flicker fusion frequency, and spectral sensitivity in black rockfish (Sebastes melanops) subjected to rapid decompression (from 4 atmospheres absolute [ATA] to 1 ATA) and Pacific halibut (Hippoglossus stenolepis) exposed to 15 minutes of simulated sunlight. Rapid decompression had no measurable influence on retinal function in black rockfish. In contrast, exposure to bright light significantly reduced retinal light sensitivity of Pacific halibut, predominately by affecting the photopigment which absorbs the green wavelengths of light (≈520–580 nm) most strongly. This detriment is likely to have severe consequences for postrelease foraging success in green-wavelength-dominated coastal waters. The visual system of Pacific halibut has characteristics typical of species adapted to low light environments, and these characteristics may underlie their vulnerability to injury from exposure to bright light.