The Mechanical Properties of Nanocomposites Reinforced with PA6 Electrospun Nanofibers.

Electrospun nanofibers are very popular in polymer nanocomposites because they have a high aspect ratio, a large surface area, and good mechanical properties, which gives them a broad range of uses. The application of nonwoven structures of electrospun nanofiber mats has historically been limited to enhancing the interlaminar responses of fiber-reinforced composites. However, the potential of oriented nanofibers to improve the characteristics of bulk matrices cannot be overstated.

CHANGES IN IMMUNOLOGICAL INDICATORS UNDER THE INFLUENCE OF TREATMENT OF GENERALIZED PERIODONTITIS IN PATIENTS WITH MANIFESTATIONS OF PSYCHOEMOTIONAL STRESS.

Objective: The aim: The aim of investigation was to determine the effect of the proposed treatment of patients with generalized periodontitis and psychoemotional stress on changes in the immune system of patients.

Patients And Methods: Materials and methods: The clinical and laboratory investigations were conducted to revealed the effectiveness of the proposal complex of adrenoblockers in complex treatment of generalized periodontitis in 40 patients with psychoemotional stress. To assess the effectiveness of the treatment, the level of cortisol in saliva was determined.

Text-mined dataset of gold nanoparticle synthesis procedures, morphologies, and size entities.

Gold nanoparticles are highly desired for a range of technological applications due to their tunable properties, which are dictated by the size and shape of the constituent particles. Many heuristic methods for controlling the morphological characteristics of gold nanoparticles are well known. However, the underlying mechanisms controlling their size and shape remain poorly understood, partly due to the immense range of possible combinations of synthesis parameters.

Dataset of solution-based inorganic materials synthesis procedures extracted from the scientific literature.

The development of a materials synthesis route is usually based on heuristics and experience. A possible new approach would be to apply data-driven approaches to learn the patterns of synthesis from past experience and use them to predict the syntheses of novel materials. However, this route is impeded by the lack of a large-scale database of synthesis formulations.

NEAREST RESULTS OF TREATMENT OF EXACERBATED GENERALIZED PERIODONTITIS IN PATIENTS WITH MANIFESTATIONS OF PSYCHOEMOTIONAL STRESS.

To date, the common etiological factor of periodontal disease is periodontopathogenic microflora. In the case of favorable circumstances (the presence of systemic diseases, reduced general or local resistance), it multiplies rapidly and causes periodontal disease: gingivitis or periodontitis. Among these systemic lesions, psychological stress occupies a significant place.

The fauna of aquatic invertebrates in the river impacted by wastewaters from the pulp and paper industry (Komi Republic).

Background: Invertebrates are important elements of aquatic ecosystems and play a crucial role in the transformation of matter and energy in continental water bodies. Communities of aquatic invertebrates are characterised by high sensitivity to pollution by nutrients and toxic substances and acidification of water bodies; they serve as good bioindicators of the quality of the aquatic environment and impacts on hydroecosystems. All hydrobionts participate in the processes of self-purification of water bodies.

COMBINED CARIES AND GASTROESOPHAGEAL REFLUX DISEASE.

Caries and its complications take the leading role in the development of gastrointestinal diseases in young people. Gastroesophageal reflux disease is one of the most common diseases of the digestive tract. An important role among the components of the immune defense of the oral cavity belongs to non-specific humoral factors produced by various cells that act in a complex, which increases the final effect of protection.

EFFECTІVENESS OF LASER THERAPY ІN COMPLEX TREATMENT OF HERPETIC STOMATITIS.

Objective: The aim: The purpose of research is to improve the effectiveness of treatment by applying laser in complex treatment in patients with herpetic stomatitis.

Patients And Methods: Materials and methods: Were examined 47 people (22 men and 25 women) with acute herpetic stomatitis. The patіents' age was from 20 to 72 years.

Data on taxa composition of freshwater zooplankton and meiobenthos across Arctic regions of Russia.

We present the presence/absence species list (Table 1) of rotifer, cladoceran, and copepod (Calanoida, Harpacticoida, and Cyclopoida) fauna from seven Arctic regions of Russia (the Kola Peninsula, the Pechora River Delta, the Bolshezemelskaya tundra, the Polar Ural, the Putorana Plateau, the Lena River Delta, and the Indigirka River Basin) based on our own and literature data. Our own records were obtained by analyzing samples of zooplankton, meiobenthos, and two cores of bottom sediments (from the Kola Peninsula and the Bolshezemelskaya tundra lakes) that we collected once in July or August in 1992, 1995-2017. To supplement the list, we used relevant literature with periods of research from the 1960s to the 2010s.

Botulinum neurotoxin inhibitor binding dynamics and kinetics relevant for drug design.

Background: A natural product analog, 3-(4-nitrophenyl)-7H-furo[3,2-g]chromen-7-one, which is a nitrophenyl psoralen (NPP) was found to be an effective inhibitor of botulinum neurotoxin type A (BoNT/A).

Methods: In this work, we performed enzyme inhibition kinetics and employed biochemical techniques such as isothermal calorimetry (ITC) and fluorescence spectroscopy as well as molecular modeling to examine the kinetics and binding mechanism of NPP inhibitor with BoNT/A LC.

Results: Studies of inhibition mechanism and binding dynamics of NPP to BoNT/A light chain (BoNT/A LC) showed that NPP is a mixed type inhibitor for the zinc endopeptidase activity, implying that at least part of the inhibitor-enzyme binding site may be different from the substrate-enzyme binding site.

Opportunities and challenges of text mining in aterials research.

Research publications are the major repository of scientific knowledge. However, their unstructured and highly heterogenous format creates a significant obstacle to large-scale analysis of the information contained within. Recent progress in natural language processing (NLP) has provided a variety of tools for high-quality information extraction from unstructured text.

INDICATORS OF LOCAL IMMUNITY IN THE COMORBID COURSE OF CARIES AND GASTROESOPHAGEAL REFLUX DISEASE.

Aim of the study -to determine the indices of local immunity in patients who had combined dental pathology (caries) and gastroesophageal reflux disease. In total were exanimated 33 patients with dental caries in age from 18 to 25 years, including 21 men and 12 women. The main group consisted of 17 patients who had a combined dental pathology (caries) and gastroesophageal reflux disease.

Fluctuating nonlinear spring theory: Strength, deformability, and toughness of biological nanoparticles from theoretical reconstruction of force-deformation spectra.

We developed the Fluctuating Nonlinear Spring (FNS) model to describe the dynamics of mechanical deformation of biological particles, such as virus capsids. The theory interprets the force-deformation spectra in terms of the "Hertzian stiffness" (non-linear regime of a particle's small-amplitude deformations), elastic constant (large-amplitude elastic deformations), and force range in which the particle's fracture occurs. The FNS theory enables one to quantify the particles' elasticity (Young's moduli for Hertzian and bending deformations), and the limits of their strength (critical forces, fracture toughness) and deformability (critical deformations) as well as the probability distributions of these properties, and to calculate the free energy changes for the particle's Hertzian, elastic, and plastic deformations, and eventual fracture.

Botulinum Endopeptidase: SAXS Experiments and MD Simulations Reveal Extended Solution Structures That Account for Its Biochemical Properties.

Development of antidotes against botulism requires understanding of the enzymatically active conformations of Botulinum neurotoxin serotype A (BoNT/A) light chain (LCA). We performed small angle X-ray scattering (SAXS) to characterize the solution structures of truncated light chain (tLCA). The 34-37 Å radius of gyration of tLCA was 1.

Author Correction: Text-mined dataset of inorganic materials synthesis recipes.

An amendment to this paper has been published and can be accessed via a link at the top of the paper.

Text-mined dataset of inorganic materials synthesis recipes.

Materials discovery has become significantly facilitated and accelerated by high-throughput ab-initio computations. This ability to rapidly design interesting novel compounds has displaced the materials innovation bottleneck to the development of synthesis routes for the desired material. As there is no a fundamental theory for materials synthesis, one might attempt a data-driven approach for predicting inorganic materials synthesis, but this is impeded by the lack of a comprehensive database containing synthesis processes.

Named Entity Recognition and Normalization Applied to Large-Scale Information Extraction from the Materials Science Literature.

The number of published materials science articles has increased manyfold over the past few decades. Now, a major bottleneck in the materials discovery pipeline arises in connecting new results with the previously established literature. A potential solution to this problem is to map the unstructured raw text of published articles onto structured database entries that allow for programmatic querying.

Unsupervised word embeddings capture latent knowledge from materials science literature.

The overwhelming majority of scientific knowledge is published as text, which is difficult to analyse by either traditional statistical analysis or modern machine learning methods. By contrast, the main source of machine-interpretable data for the materials research community has come from structured property databases, which encompass only a small fraction of the knowledge present in the research literature. Beyond property values, publications contain valuable knowledge regarding the connections and relationships between data items as interpreted by the authors.

Regulatory element in fibrin triggers tension-activated transition from catch to slip bonds.

Fibrin formation and mechanical stability are essential in thrombosis and hemostasis. To reveal how mechanical load impacts fibrin, we carried out optical trap-based single-molecule forced unbinding experiments. The strength of noncovalent A:a knob-hole bond stabilizing fibrin polymers first increases with tensile force (catch bonds) and then decreases with force when the force exceeds a critical value (slip bonds).

TensorCalculator: exploring the evolution of mechanical stress in the CCMV capsid.

A new computational methodology for the accurate numerical calculation of the Cauchy stress tensor, stress invariants, principal stress components, von Mises and Tresca tensors is developed. The methodology is based on the atomic stress approach which permits the calculation of stress tensors, widely used in continuum mechanics modeling of materials properties, using the output from the MD simulations of discrete atomic and [Formula: see text]-based coarse-grained structural models of biological particles. The methodology mapped into the software package TensorCalculator was successfully applied to the empty cowpea chlorotic mottle virus (CCMV) shell to explore the evolution of mechanical stress in this mechanically-tested specific example of a soft virus capsid.

Mechanistic Basis for the Binding of RGD- and AGDV-Peptides to the Platelet Integrin αIIbβ3.

Binding of soluble fibrinogen to the activated conformation of the integrin αIIbβ3 is required for platelet aggregation and is mediated exclusively by the C-terminal AGDV-containing dodecapeptide (γC-12) sequence of the fibrinogen γ chain. However, peptides containing the Arg-Gly-Asp (RGD) sequences located in two places in the fibrinogen Aα chain inhibit soluble fibrinogen binding to αIIbβ3 and make substantial contributions to αIIbβ3 binding when fibrinogen is immobilized and when it is converted to fibrin. Here, we employed optical trap-based nanomechanical measurements and computational molecular modeling to determine the kinetics, energetics, and structural details of cyclic RGDFK (cRGDFK) and γC-12 binding to αIIbβ3.

Assembly and Mechanical Properties of the Cargo-Free and Cargo-Loaded Bacterial Nanocompartment Encapsulin.

Prokaryotes mostly lack membranous compartments that are typical of eukaryotic cells, but instead, they have various protein-based organelles. These include bacterial microcompartments like the carboxysome and the virus-like nanocompartment encapsulin. Encapsulins have an adaptable mechanism for enzyme packaging, which makes it an attractive platform to carry a foreign protein cargo.

SOP-GPU: influence of solvent-induced hydrodynamic interactions on dynamic structural transitions in protein assemblies.

Hydrodynamic interactions (HI) are incorporated into Langevin dynamics of the Cα -based protein model using the Truncated Expansion approximation (TEA) to the Rotne-Prager-Yamakawa diffusion tensor. Computational performance of the obtained GPU realization demonstrates the model's capability for describing protein systems of varying complexity (10(2) -10(5) residues), including biological particles (filaments, virus shells). Comparison of numerical accuracy of the TEA versus exact description of HI reveals similar results for the kinetics and thermodynamics of protein unfolding.

Fluctuating Nonlinear Spring Model of Mechanical Deformation of Biological Particles.

The mechanical properties of virus capsids correlate with local conformational dynamics in the capsid structure. They also reflect the required stability needed to withstand high internal pressures generated upon genome loading and contribute to the success of important events in viral infectivity, such as capsid maturation, genome uncoating and receptor binding. The mechanical properties of biological nanoparticles are often determined from monitoring their dynamic deformations in Atomic Force Microscopy nanoindentation experiments; but a comprehensive theory describing the full range of observed deformation behaviors has not previously been described.

Tubulin bond energies and microtubule biomechanics determined from nanoindentation in silico.

Microtubules, the primary components of the chromosome segregation machinery, are stabilized by longitudinal and lateral noncovalent bonds between the tubulin subunits. However, the thermodynamics of these bonds and the microtubule physicochemical properties are poorly understood. Here, we explore the biomechanics of microtubule polymers using multiscale computational modeling and nanoindentations in silico of a contiguous microtubule fragment.