State Of Fragments Research Articles

EFFECTS IN DISCRETE AND CONTINUOUS STRENGTHENING OF MACHINES ELEMENTS

The work describes approaches to problem solving of operational and effective improvement of the technical and tactical characteristics of military and civilian machines: tanks, armored vehicles, diesel locomotives, turbo-expander power plants, autonomous power plants of strategic objects, etc. For this purpose, fundamentally new methods of strengthening of contacting machines elements are being developed. These methods combine the advantages of discrete and continuous strengthening methods, which have largely exhausted their capabilities by now. Qualitative features and advantages of proposed discrete-continuous strengthening methods require effective implementation. We are talking about the justification of progressive technical solutions based on the criteria of strength and durability. For this purpose, the methodology of multi-criteria synthesis in the expanded space of design and technological parameters will be improved. In addition, as a basis for substantiating advanced technological solutions, a set of related problems of analysis of the stress-strain state, friction and wear is formed. Therefore, based on the improved system approach, a much higher level of strength and durability of the reinforced structural parts is achieved than with traditional methods. The results of test problems solving are illustrated. In the result, micro-macromodels are generalized to determine the joint influence of structural and technological factors, microstructure, physical and mechanical properties of materials of reinforced layers on the contact interaction and stress-strain state of representative fragments of the system of discrete-continuous reinforced bodies. The results of analysis of combined influence of structural and technological factors, microstructure, physical and mechanical properties of materials reinforced layers have been established on the contact interaction and stress-strain state of test representative fragments of the system of discrete-continuously reinforced bodies. At the same time, a significant influence of reinforced layers properties was established on strength of contacting bodies.

Interpretable Machine Learning Model for Predicting Interaction Energies between Dimethyl Sulfide and Potential Absorbing Solvents

Non-bonding intermolecular interactions largely dominate the selective dissolution of trace species into physical solvents and, therefore, are fundamentally important to solvent development for the capture of environment-undesired compounds or purification of chemicals. However, acquirement of the interaction energy requires costly quantum chemical computation and still encounters a practical challenge to build a chemically interpretable machine learning (ML) prediction model using documented molecular descriptors. Herein, we report an ML model for predicting the interaction energies (Eint) between dimethyl sulfide and potential absorbing solvents. Applying the reduced density gradient and quantum theory of atoms in molecules analyses, the non-bonding intermolecular interactions of dimethyl sulfide with solvent compounds were elucidated through focusing on the molecular fragments containing the main center (MC) and secondary center (SC) rather than the whole molecule. The training data set was obtained using a molecular generation strategy, and 21 molecular descriptors were defined to describe the electronic states of the central atoms in each solvent molecule and its nearby hydrogen-bond donors. Model analysis reveals that Eint is mainly determined by the charge state of the crucial fragments and the hydrogen-bond donors of the solvent molecule. The custom-defined descriptors not only improve the regression and prediction performance but also enable the interpretability of the ML model. Additionally, the absorption equilibrium measurements of solubilities of dimethyl sulfide in several commercial solvents verified the strong correlation between the dissolving affinity and solute–solvent intermolecular interaction energy. The present study provides an approach to building practical and interpretable intelligent algorithms to aid the development of sustainable chemicals or processes.

Presentation of the disease diagnosis process based on the verification of the state of fragments of medical biological objects by the decision support subsystem as an automated technological process

This article describes the analysis and synthesis of the diagnostic process and its presentation as a technological process for automating the diagnosis of diseases, which made it possible to increase the detail of diagnostics using technologies consisting in the synthesis of algorithms implemented by the software and information support of the medical information system when implementing methods for verifying the state of fragments of medical biological objects using computed tomographic images for the diagnosis of diseases. The article focuses on the analysis of X-ray images, decision-making based on the analysis of these images, diagnosis based on the decisions made.. Examples of practical implementation of software and information support for automation of verification methods of medical facilities in the form of screen forms for working with fragments of the object under study and the results of the analysis of radiographic images are shown. This makes it possible to increase the efficiency, accuracy of verification of the state of medical biological objects, the reliability of the disease diagnosis process. The scientific novelty, the results of the approbation of the material presented in the article at international, All-Russian conferences, in scientific journals are shown.

Persistence of phenotypic responses to short-term heat stress in the tabletop coral Acropora hyacinthus.

Widespread mapping of coral thermal resilience is essential for developing effective management strategies and requires replicable and rapid multi-location assays of heat resistance and recovery. One- or two-day short-term heat stress experiments have been previously employed to assess heat resistance, followed by single assays of bleaching condition. We tested the reliability of short-term heat stress resistance, and linked resistance and recovery assays, by monitoring the phenotypic response of fragments from 101 Acropora hyacinthus colonies located in Palau (Micronesia) to short-term heat stress. Following short-term heat stress, bleaching and mortality were recorded after 16 hours, daily for seven days, and after one and two months of recovery. To follow corals over time, we utilized a qualitative, non-destructive visual bleaching score metric that correlated with standard symbiont retention assays. The bleaching state of coral fragments 16 hours post-heat stress was highly indicative of their state over the next 7 days, suggesting that symbiont population sizes within corals may quickly stabilize post-heat stress. Bleaching 16 hours post-heat stress predicted likelihood of mortality over the subsequent 3-5 days, after which there was little additional mortality. Together, bleaching and mortality suggested that rapid assays of the phenotypic response following short-term heat stress were good metrics of the total heat treatment effect. Additionally, our data confirm geographic patterns of intraspecific variation in Palau and show that bleaching severity among colonies was highly correlated with mortality over the first week post-stress. We found high survival (98%) and visible recovery (100%) two months after heat stress among coral fragments that survived the first week post-stress. These findings help simplify rapid, widespread surveys of heat sensitivity in Acropora hyacinthus by showing that standardized short-term experiments can be confidently assayed after 16 hours, and that bleaching sensitivity may be linked to subsequent survival using experimental assessments.

Regulation of water access, storage, separation and release of drugs from the carbon nanotube functionalized by cytosine rich DNA fragments.

We found that carmustine can be stored in the carbon nanotube (CNT) interior for a long time due to hydrophobic interactions. The access of water to carmustine phase in the CNT interior can be controlled by the state of cytosine rich DNA fragments covalently bound to the CNT tips and to the presence of doxorubicin molecules intercalated within bundles of DNA fragments. More effective control of water access and subsequent decomposition of carmustine due to the contact with water was observed when some small amount of doxorubicin molecules cork the CNT ends. Our analysis shows that carmustine decomposition products naturally separate when decomposition occurs within the CNT. The alkylating agent, chloroethyl carbonium cation, spontaneously escapes from the CNT but the carbamylation agent, chloroethyl isocyanate, is still kept within the nanotube interior. The separation process and release of the alkylating agent needs uncorking the nanotube by doxorubicin molecules. The latter process is likely to occur spontaneously at acidic pH when intercalation of doxorubicin within the DNA fragments becomes ineffective. The features of the proposed molecular model, obtained from molecular dynamics simulations, can be beneficial in design of novel smart drugs carriers to a tumor microenvironment revealing the reduced extracellular pH.

СИНТЕЗ ПРОГРАММНОГО И ИНФОРМАЦИОННОГО ОБЕСПЕЧЕНИЯ РЕАЛИЗАЦИИ МЕТОДОВ ВЕРИФИКАЦИИ СОСТОЯНИЯ МЕДИЦИНСКИХ БИОЛОГИЧЕСКИХ ОБЪЕКТОВ ДЛЯ МЕДИЦИНСКОЙ АВТОМАТИЗИРОВАННОЙ ИНФОРМАЦИОННОЙ СИСТЕМЫ

This article describes the information and software for the implementation of various methodsfor verifying the state of fragments of biological objects using computed tomographic images by thedecision support subsystem for the diagnosis of diseases. It is pointed out the current state of developmentof medical diagnostic equipment, the equipment of which medical institutions of the countryand its non-operational accessibility to the population contributed to and led to the emergence andactive development of new directions in the field of radiation diagnostics, which include: digital andfilm radiography, computed tomography, magnetic resonance imaging. The article focuses on theanalysis of X-ray images, decision-making based on the analysis of these images, diagnosis based onthe decisions made. The advantages and disadvantages of radiography as a modern diagnostic methodare analyzed relative to their analogues. An important task in the analysis of radiographic imagesof medical biological objects and their fragments is to solve the problem of image quality improvement.In order to improve the quality of X-ray images and increase their informativeness, an algorithmhas been developed and the software of the software subsystem of the medical automated informationsystem for their correction and analysis has been implemented. The article discusses theimplementation of solving problems of diagnosis of diseases, such as: analysis of radiographic images,decision-making based on the analysis of these images, diagnosis based on the decisions made bydeveloping and applying software and information support for the implementation of methods forverifying the state of fragments of biological objects as effective methods for diagnosing the state ofparanasal sinuses by their radiographic and computed tomographic images. The main methods underlyingverification by X-ray and computed tomography images are described. A detailed analysisof the implementation of mathematical models of diagnostic methods in the form of algorithms implementedby software for the functioning of the decision support subsystem of a medical automatedinformation system is given. Examples of practical implementation of software and information supportfor verification methods of medical objects in the form of screen forms for working with fragmentsof the object under study and the results of the analysis of radiographic images are shown.This makes it possible to increase the efficiency, accuracy of verification of the state of medical biologicalobjects, the reliability of the disease diagnosis process. The scientific novelty, the results ofthe approbation of the material presented in the article at international, All-Russian conferences,scientific journals are shown.

Про механізм формування зеренної структури і границь розділу в самоармованому нітриді алюмінію

Results of an investigation by scanning electron microscopy methods of the microstructure of self-reinforced aluminum nitride obtained on the basis of aluminum nitride powder and containing 3 mass.% oxygen by plasma-chemical synthesis in the temperature range 1700-2000 °C are presented. Initial aluminum nitride was represented by the wurtzite (2H) phase. Samples were obtained by free sintering in a nitrogen atmosphere. It was established that, during sintering of AlN in the indicated temperature range, three microstructural types of the material and six types of interfaces (three types of intergranular and three types of intragranular ones) formed. The features of the microstructure of the materials are fully determined by the development of intergranular crystal-oriented polytype transitions of 2H AlNmultilayer polytypes (MP) in sintering. The sequence of successive structural transformations that determine the development of polytype transitions was established. 1. Formation of initial 2H AlN grains of the solid solution 2H AlN-O. The substitution of nitrogen by oxygen takes place. 2. The development of isomorphous delamination of the solid solution in every grain with the precipitation of an interlayer enriched in oxygen. 3. In interlayers, polytypes consisting of a series of polytypes with different number of layers (MP) form. Such an interlayer has developed base surfaces and propagates from one boundary to another in the grain, which determines the formation of a special structural state of fragments of boundaries, that border interlayers in the direction <hk0>. 4. The high mobility of the indicated fragments of boundaries determines their break-off from the common boundary and formation of a grain nucleus of anisometric (plate-like) shape. This process begins already at a sintering temperature Tsint. = 1800 °C, and, at Tsint. = 2000 °C, polycrystals practically entirely consist of grains of plate-like shape. In this case, with increase in the sintering temperature, the aspect ratio (the length-to-width ratio) of such grains rises. Keywords: aluminum nitride, polytype transformations, grains, microstructure, boundaries, self-reinforcement.

A New Measure to Characterize the Self-Similarity of Binary Time Series and its Application

In this study, the branch-length similarity entropy profile is estimated by mapping the time-series signal to the circumference of the time circle, and the self-similarity is defined based on the profile. To explore the self-similarity property, the effect of the distance between two signals, “0” and “1”, on the entropy value for signal “1” is investigated. Furthermore, two application problems are addressed: quantification of the mixing state of fragments and clusters, and characterization of the behavioral trajectory of an organism. The results indicate that use of the self-similarity property solves both the problems. Additionally, the problems that must be addressed to broaden the applicability of self-similarity are discussed.

Medical automated information system of decision support for diagnosis of diseases with the use of verification of the state of fragments of biomedical objects by computer tomographic images

In this article the purpose is to describe the implementation of medical automated information system to support decision-making in the process of diagnosis of diseases, as a method of research the methodology of verification of the state of fragments of biological objects by computed tomographic images for the diagnosis of diseases is used, the result is a description of the main methods underlying verification by x-ray images, the development of the structure, mathematical, software and information support.

A quantum wavepacket study of state-to-state photodissociation dynamics of HOBr/DOBr

Photodissociation of HOBr is an important step in the reaction network of the depletion of ozone in stratosphere. Here, we report the first three-dimensional potential energy surfaces for the lowest three singlet states for HOBr, based on high level multi reference configuration interaction calculations. Quantum dynamics calculations are performed with a real wavepacket method, yielding not only absorption spectra but also internal state and angular distributions of the photodissociation fragments. Our results agree quantitatively with the measured total absorption cross sections of HOBr in the ultraviolet region and reproduce well the observed vibrationally cold and rotationally hot OH/OD fragments via photodissociation of HOBr/DOBr at 266 nm. In addition, we predict that the recoil anisotropy parameters for OH/OD are close to the limiting value of a parallel transition, suggesting a rapid dissociation process at 266 nm following an in-plane transition from the ground state (11A′) to the 21A′ state. This is consistent with the experimental conclusion derived from the measured rotational alignment. However, spin and electronic angular momenta need to be taken into account in the future to achieve a more quantitative agreement with experiment. Our work is expected to motivate further experimental investigations for this benchmark system.

WALLING THERMAL PROPERTIES INFLUENCED BY HEAT-STRESSED ELEMENTS IN EXTERNAL CORNER AREA

It is known that heat-stressed elements greatly affect the thermal properties of walling and contribute to the heat losses of a building. Heat-stressed elements decrease the temperature on the inner walling surface adjacent to the external corners. In addition to increasing heat losses, heat-stressed elements increase the condensation on the inner walling surface leading to mold appearance. This is one of the reasons that shows that the modeling of heat-stressed elements is a very important design stage. The article discusses the effect from these elements on thermal properties of multilayer walling in the external corner of a building. Using the ANSYS software package, the influence of heat-stressed elements on the heat transfer processes is modeled in the external corner area. A quantitative assessment of the thermal state of typical walling fragments under extreme heat-transfer conditions is given. The obtained research results can be used to increase the temperature in the area of heat-stressed elements and reduce their negative impact.

Exploring Manufacturing Process and Degradation Products of Gilt and Painted Leather

In this work, we studied the manufacturing processes and the conservation state of gilt and painted leather fragments from Palazzo Chigi in Ariccia (Italy) by using different analytical techniques. Leather fragments present a silver leaf superimposed onto leather support. A gold varnish and different painted layers decorate it all. A top-down analytical approach was used to investigate this complex multilayer structure, which adopted techniques with different sampling depths. Organic and inorganic constitutive materials together with related degradation products were studied by time of flight secondary ion mass spectrometry (ToF-SIMS), attenuated total reflectance-Fourier transform infrared spectroscopy (ATR-FTIR), and macro X-ray fluorescence (MA-XRF). The findings have revealed the presence of different elements and species as calcium and iron in the leather support, which was attributed to the un-hairing process in the leather tanning. Regarding what concerns the silver leaf, where the varnish cracked, silver chlorides, oxides, and sulfides were detected as degradation products of the silver leaf. Proteinaceous compounds were also identified where the silver leaf is unprotected by the varnish. These ion signals reveal a potential use of animal glue on both sides of the silver leaf to promote durable adhesion. In the gold varnish, the surface analysis revealed organic compounds such as resins and oils. In particular, the copresence of linoleic, arachidonic, and lignoceric acid ion signals in the yellow area suggests the use of aloe as a colorant. Lead ions in the same area were detected and attributed to the use of lead as siccative. Blue areas were obtained by using indigo and lead white in addition to an oil binder. This is confirmed by the detection of indigotin, fatty acid, and lead soap ion signals. A copper-based pigment was used to depict the green areas and copper oxalates were identified as its degradation products. Lastly, no significant information about the red colorant was obtained. Colophony is present as a component of the final varnish.

Study of the ravine-gully system of the city of Dnipro with the aim of returning them territories to the urban infrastructure

The article provides an analysis of the state of individual fragments of a ravine-gully system in the right-bank part of the city of Dnepr and its impact on the urban infrastructure. Examples of the successful use and construction of ravines with buildings and structures are considered. According to the results of the survey by the method of the natural impulse electromagnetic field of the Earth, a map-scheme of the flux density of the natural impulse electromagnetic field of the Earth was constructed in the area adjacent to the Monument of Glory, showing the presence of a previously covered ravine. The deformation processes that are observed on the eastern side of the Monastyrska gully are analyzed. Methods for strengthening landslide-prone slopes are considered.

Butterfly-shaped, heterometallic, hexanuclear, [FeIII2LnIII4] (LnIII = GdIII, TbIII, DyIII and HoIII) Complexes: Syntheses, structure and magnetism

Hexanuclear heterometallic (FeIII2LnIII4) (LnIII = GdIII; TbIII; DyIII and HoIII) complexes in a butterfly-shaped core are described. Two of the FeIII ions form part of the body and a pair of lanthanides are present in the wings. Detailed magnetic studies of all the complexes have been carried out which reveal predominantly antiferromagnetic interactions among the paramagnetic metal centers. The M vs H/T plots show the presence of magnetic anisotropy (except for the GdIII analogue) in these complexes. On the other hand, ac susceptibility measurements down to 2 K do not reveal the presence of an out-of-phase signal. Mössbauer measurements confirm the non-magnetic ground state of the central FeIII2 fragments and absence of the transfer field from the DyIII to FeIII.

ВИКОРИСТАННЯ МЕТОДУ СКІНЧЕННИХ ЕЛЕМЕНТІВ ДЛЯ ЛІКУВАННІ АНГУЛЯРНИХ ПЕРЕЛОМІВ НИЖНЬОЇ ЩЕЛЕПИ

This research presents the technique of numerical calculations of mandible fractures, taking into account morphometric parameters. The received stress-deformed state of the mandible fragments, fastening plate and screws allows us to estimate the relative degree of displacement of the fragments and to evaluate their state after the action of chewing loads of phase 4.The aim of the study – to analyze the behavior of the mandible fragments after fixing the angular mandible fracture with plates of different configurations using modern software complexes that implement the finite element method.Materials and Methods. The behavior mandible fragments after fixing the plates of different configurations was the computer simulation in the ANSYS Workbrench software, namely, its module Transient Structural, which implements the method of finite elements.Results and Discussion. After numerical calculations, it has been discovered that the use of computer technologies in maxillofacial surgery provides a more accurate picture of the treatment results, interaction and relative movement between parts of the system of "mandible fracture – plate – screws", which makes it possible to improve the treatment plan.Conclusions. The use modern software complexes of automated geometric modeling allows us tocreate high-precision models o biomechanical systems based on CT data followed by finite-element sampling ad a numerical experiment in engineering analysis system.

The Role of Fusion Protein F in the Virus Entry and Cell‐to‐Cell Spread for Nipah Virus

Viruses are obligate parasites, where they require host cells to replicate and produce their progeny. Membrane and non‐segmented single‐stranded negative sense RNA genome are important signatures of paramyxoviruses. The paramyxovirus family contains many common human pathogenic viruses, including measles, mumps, respiratory syncytial virus, and Nipah virus (NiV) ‐ a deadly paramyxovirus with up to 75% mortality rate, with neither vaccine nor therapeutics available. Membrane fusion is necessary for entry of the membraned viruses like paramyxoviruses into their host cells (viral‐cell fusion), and for cell‐cell virus spread via syncytia formation (cell‐cell fusion). For most paramyxoviruses membrane fusion requires two viral glycoproteins – the attachment glycoprotein (HN/H/G) and fusion (F) glycoprotein. Structurally, type 1 fusion protein and a type 2 attachment protein is common to all paramyxoviruses. For virus entry into host cells during infection or cell‐cell spread, NiV has a unique pair of G and F proteins as its specific attachment glycoprotein and fusion glycoprotein respectively. NiV G protein made up of C‐terminal end globular head, stalk region, transmembrane (TM) domain and N‐terminal cytoplasmic tail. In contrast, NiV F protein consist of N‐terminal tail on the surface, hydrophobic fusion peptide (FP), single‐pass transmembrane (TM) domain, and C‐terminal cytoplasmic tail. It also has two heptad repeat domains (HR1/HRA [closer to FP] and HR2/HRB [closer to TM]). Both FP and HR domains play key roles in membrane fusion. NiV F proteins are synthesized as biologically inactive F0 precursors. To be active, F0 proteins need to be cleaved into metastable state of F1 and F2 fragments, covalently linked by disulphide bonds. Unlike other paramyxoviruses, where the cleaving of F0 into F1 + F2 is mediated by trypsin or trypsin‐like proteases, NiV F is cleaved by endocytosis and pH dependent process by endosomal proteases (cathepsin L/B) which exposes the FP as new N‐terminal of the F1 fragment. On the surface of NiV membrane, metastable structure of F1 + F2 makes the FP ‘hidden’ or ‘protected’ by protein‐protein interaction with G protein. Upon receptor (Ephrin B2/B3) binding, the NiV G protein alters its structure which then nudges and triggers the adjacent F protein to undergo conformational changes that causes the FP to stab into the host cell membrane, thus bridging between virus membrane and host cell membrane. On further conformational changes of F1+F2, the HRA/HR1 and HRB/HR2 coalesce or conjoin which then forms ‘fusion pores' allowing the NiV genome to enter the host cell cytoplasm and begin replication steps. When many similar NiV F and G mediated membrane fusion steps occur between a NiV‐infected cell with the non‐infected neighboring cells, it produces a multi‐nucleated giant syncytia formation, i.e. to facilitate cell‐cell virus spread. The Walton High School MSOE Center for BioMolecular Modeling SMART Team used 3‐D modeling and printing technology to examine structure‐function of NiV F and G proteins in membrane fusion.This abstract is from the Experimental Biology 2018 Meeting. There is no full text article associated with this abstract published in The FASEB Journal.

Study of Thermophysical Property Formation of Spatially Reinforced Carbon-Carbon Composite Materials

Thermophysical properties are studied: thermal conductivity, heat capacity and thermal diffusivity of spatially reinforced carbon-carbon composite materials. A structural model is proposed for thermal conductivity levels at 300 and 2500 K. Results of calculations are confirmed in manufacturing practice and studies of material properties. It is shown that anisotropy of thermal conductivity levels leads to a nonuniform thermal state of refractory carbon composite working surface fragments. It is established that structure formation for the surface of a carbon-carbon refractory wall is connected with composite components structural state inhomogeneity. Approaches are proposed for increasing the working surface life for refractory carbon materials.

Lowest energy states of Hubbard ladder model with infinite electron repulsion

We apply cyclic spin permutation formalism to the study the lowest energy states of the infinite-repulsion Hubbard model on n-leg ladders. For ladder fragments with the electron densities ρ=1–(2n)−1 we show that the alternation in the values of one-site energies for neighboring rungs leads to the stabilization of the ground state of ladder fragments with the maximal value of the total spin (S0=Smax) against the increase of the interactions between rungs. The decrease of the electron density may lead to the destruction of this state. For two leg ladder fragments at the density ρ>0.8 we find a possibility of the transition between the ground states with S0=Smax and S0=Smax−1 with the decrease of the interaction between legs.

Stress-Strain State of the Fragments of Armored Monolithic Floors with Tubular Inserts

The stress-strain state of fragments of an armored floor with tubular inserts is determined with regard for the nonlinearity of deformation of concrete according to SBN V.2.6-98:2009. The applied technique allows us to compute the deflections of the floor depending on the nature of loading and deformation. The comparison of the theoretical and experimental values of the deflections of fragments cut out from the armored floor with unidirectional arrangement of polystyrene inserts with rectangular cross sections reveals their close proximity.

Staphylococcal Bap Proteins Build Amyloid Scaffold Biofilm Matrices in Response to Environmental Signals

Biofilms are communities of bacteria that grow encased in an extracellular matrix that often contains proteins. The spatial organization and the molecular interactions between matrix scaffold proteins remain in most cases largely unknown. Here, we report that Bap protein of Staphylococcus aureus self-assembles into functional amyloid aggregates to build the biofilm matrix in response to environmental conditions. Specifically, Bap is processed and fragments containing at least the N-terminus of the protein become aggregation-prone and self-assemble into amyloid-like structures under acidic pHs and low concentrations of calcium. The molten globule-like state of Bap fragments is stabilized upon binding of the cation, hindering its self-assembly into amyloid fibers. These findings define a dual function for Bap, first as a sensor and then as a scaffold protein to promote biofilm development under specific environmental conditions. Since the pH-driven multicellular behavior mediated by Bap occurs in coagulase-negative staphylococci and many other bacteria exploit Bap-like proteins to build a biofilm matrix, the mechanism of amyloid-like aggregation described here may be widespread among pathogenic bacteria.