Analysis of Polarization Images in the Microphysical Blood Parameters Research for the Hematocrit Diagnostics.

The development of non-invasive optoelectronic technologies for human blood monitoring is one of the important research areas for medicine. A critical analysis of optoelectronic methods of blood research and the micromechanical systems based on them is carried out in this article. A design realization of a polarizing portable system for non-invasive monitoring of hematocrit as one of the basic homeostatic constants of the human body containing information about the microphysical parameters of blood cells has been substantiated. A physical model of polarized radiation conversion in a video information system of laser sensing of a biological research object has been formed. Visual and quantitative differences in the spatial distribution of polarization parameters of the scattered radiation for the states of the body with different hematocrit levels have been revealed. A scheme of a multichannel imaging portable system, based on a smartphone using miniature optical and microelectronic components of information conversion for non-invasive monitoring of microphysical blood parameters, has been created. The system implements the principle of polarimetric blood photometry and a multiparametric analysis of the polarization properties of the laser radiation scattered by blood. The developed portable optoelectronic system, based on a smartphone, can be used for rapid blood diagnostics in disaster medicine and the presence of clinical contraindications to the formation of invasive tests. The proposed polarization-based approach is a promising automated alternative to traditional devices and systems for the research of microphysical blood parameters.

Selection of Representative Constituents for Unknown, Variable, Complex, or Biological Origin Substance Assessment Based on Hierarchical Clustering.

Many of the newly produced and registered substances are complex mixtures or substances of unknown or variable composition, complex reaction products, and biological materials (UVCBs). The latter often consist of a large number of constituents, some of them difficult-to-identify constituents, which complicates their (eco)toxicological assessment. In the present study, through a series of examples, different scenarios for selection of representatives via hierarchical clustering of UVCB constituents are exemplified. Hierarchical clustering allows grouping of the individual chemicals into small sets, where the constituents are similar to each other with respect to more than one criterion. To this end, various similarity criteria and approaches for selection of representatives are developed and analyzed. Two types of selection are addressed: (1) selection of the most "conservative" constituents, which could be also used to support prioritization of UVCBs for evaluation, and (2) obtaining of a small set of chemical representatives that covers the structural and metabolic diversity of the whole target UVCBs or a mixture that can then be evaluated for their environmental and (eco)toxicological properties. The first step is to generate all plausible UVCB or mixture constituents. It was found that the appropriate approach for selecting representative constituents depends on the target endpoint and physicochemical parameters affecting the endpoint of interest. Environ Toxicol Chem 2021;40:3205-3218. © 2021 SETAC.

Avalanche parametric conversion and white spectrum generation from infrared femtosecond pulses in glasses.

The observation of discrete lines in the white spectrum at the initial stage of filamentation of powerful femtosecond laser pulses, propagating in silica glasses, as well as the filamentation without plasma channels observed in the experiments in air, pushed us to look for other nonlinear mechanisms for describing these effects. In this paper, we present a new parametric conversion mechanism for asymmetric spectrum broadening of femtosecond laser pulses towards higher frequencies in isotropic media. This mechanism includes cascade generation with THz spectral shift for solids and GHz shift for gases. The process works simultaneously with the four-photon parametric wave mixing. The theoretical model proposed agrees well with the experimental data.

UVCB substances: methodology for structural description and application to fate and hazard assessment.

Substances of unknown or variable composition, complex reaction products, or biological materials (UVCBs) have been conventionally described in generic terms. Commonly used substance identifiers are generic names of chemical classes, generic structural formulas, reaction steps, physical-chemical properties, or spectral data. Lack of well-defined structural information has significantly restricted in silico fate and hazard assessment of UVCB substances. A methodology for the structural description of UVCB substances has been developed that allows use of known identifiers for coding, generation, and selection of representative constituents. The developed formats, Generic Simplified Molecular-Input Line-Entry System (G SMILES) and Generic Graph (G Graph), address the need to code, generate, and select representative UVCB constituents; G SMILES is a SMILES-based single line notation coding fixed and variable structural features of UVCBs, whereas G Graph is based on a workflow paradigm that allows generation of constituents coded in G SMILES and end point-specific or nonspecific selection of representative constituents. Structural description of UVCB substances as afforded by the developed methodology is essential for in silico fate and hazard assessment. Data gap filling approaches such as read-across, trend analysis, or quantitative structure-activity relationship modeling can be applied to the generated constituents, and the results can be used to assess the substance as a whole. The methodology also advances the application of category-based data gap filling approaches to UVCB substances.

Optical scattering lengths in large liquid-scintillator neutrino detectors.

For liquid-scintillator neutrino detectors of kiloton scale, the transparency of the organic solvent is of central importance. The present paper reports on laboratory measurements of the optical scattering lengths of the organic solvents phenylxylylethane, linear alkylbenzene (LAB), and dodecane, which are under discussion for next-generation experiments such as SNO+ (Sudbury Neutrino Observatory), HanoHano, or LENA (Low Energy Neutrino Astronomy). Results comprise the wavelength range of 415-440 nm. The contributions from Rayleigh and Mie scattering as well as from absorption/re-emission processes are discussed. Based on the present results, LAB seems to be the preferred solvent for a large-volume detector.

Complete decapitation of a motorcyclist in a road accident. A case report.

This is rare case of complete decapitation involving a 20-year-old motorcyclist. The motorcyclist sustained a heavy blow in the region of the neck against the right-side edge of a car compartment which resulted in his complete decapitation. The head of the motorcyclist was 37.5 m away from the car in the direction of the motorcycle movement. The collision speed of the motorcycle was about 133 km/h. Literature survey and the examination of injuries in this case have allowed us to conclude what the decapitation causing mechanism was and the force necessary to have complete decapitation. In our case the basic mechanism for decapitation was the direct trauma in the cervical region. The force needed for the complete decapitation ranges between 400 kgf and 800 kgf (3923 N-7846 N).

A systematic approach to simulating metabolism in computational toxicology. I. The TIMES heuristic modelling framework.

Designing biologically active chemicals and managing their risks requires a holistic perspective on the chemical-biological interactions that form the basis of selective toxicity. The balance of therapeutic and adverse outcomes for new drugs and pesticides is managed by shaping the probabilities for transport, metabolism, and molecular initiating events. For chemicals activated as well as detoxified by metabolism, selective toxicity may be considered in terms of relative probabilities, which shift dramatically across species as well as within a population, depending on many factors. The complexity in toxicology that results from metabolism has been troublesome in QSAR research because the parent structure is less relevant to predicting ultimate effects and finding reference species/conditions for metabolic rates seems hopeless. Even the complexity of comparative xenobiotic metabolism itself seems paradoxical in light of the evidence of highly conserved catabolic processes across species. Clearly, predicting the role of metabolism in selective toxicity and adverse health outcomes requires a probabilistic framework for deterministic models as well as the many factors shaping the metabolic probability distributions under specific conditions. This paper presents a tissue metabolism simulator (TIMES), which uses a heuristic algorithm to generate plausible metabolic maps from a comprehensive library of biotransformations and abiotic reactions and estimates for system-specific transformation probabilities. The transformation probabilities can be calibrated to specific reference conditions using transformation rate information from systematic testing. In the absence of rate data, a combinatorial algorithm is used to translate known metabolic maps taken from reference systems into best-fit transformation probabilities. Finally, toxicity test data itself can be used to shape the transformation probabilities for toxicity pathways in which the metabolic activation is the rate-limiting process leading to a toxic effect. The conceptual approach for metabolic simulation will be presented along with practical uses in forecasting plausible activated metabolites.

Determination of lipophilicity of some non-steroidal anti-inflammatory agents and their relationships by using principal component analysis based on thin-layer chromatographic retention data.

The relative lipophilicity of ten non-steroidal anti-inflammatory agents have been determined by reversed-phase thin layer chromatography using different reversed-phase high-performance thin-layer chromatography plates and water-methanol mixtures as eluents. The compounds studied showed regular retention behavior, their RM values decreasing linearly with increasing concentration of methanol in the eluent. Principal component analysis allowed a more rational and objective estimation and comparison of lipophilicity determined by reversed-phase thin-layer chromatography. It also affords a useful graphical tool, since scatterplots of the scores onto the plane described by the first two components will have the effect of separating compounds from each other most effectively, thus obtaining "congeneric lipophilicity chart".