Development of Thermodynamic Criteria for Determining the Composition of Duplex Stainless Steels with High Corrosion Resistance.

One of the most popular methods for ranking duplex stainless steels (DSSs) and predicting their corrosion properties is the calculation of the pitting resistance equivalent number (PREN). However, since DSSs are two-phase materials with a significant fraction of secondary phases and precipitates, the application of the PREN can be highly limited. This article attempted to use a new approach to describe the corrosion resistance of these steels.

Control of the Composition and Morphology of Non-Metallic Inclusions in Superduplex Stainless Steel.

Duplex stainless steel is a unique material for cast products, the use of which is possible in various fields. With the same chemical composition, melting, casting and heat treatment technology, pitting and crevice corrosion were observed at the interphase boundaries of non-metallic inclusions and the steel matrix. To increase the cleanliness of steel, it is necessary to carefully select the technology for deoxidizing with titanium or aluminum, as the most common deoxidizers, and the technology for modifying with rare earth metals.

Development of a Methodology for the Quality Management of Duplex Stainless Steels.

The use of traditional materials leads to failures and breakdowns of expensive equipment, so advanced materials are needed that can provide reliable and durable solutions. The ability to control the quality of duplex stainless steels (DSSs) can greatly help with the development of new compositions or choosing existing DSSs. In this case, it is necessary to consider the final consumer properties-corrosion resistance and mechanical properties, which depend on the phase composition, contamination with non-metallic inclusions (NMIs), and the presence of undesirable secondary phases.

The Canonical Table of the Genetic Code as a periodic system of triplets.

The Canonical Table of the Genetic Code (CTGC) is constructed theoretically on the basis of the similarity of PFs (PF) of proteins with the conformation of 4-arc chain graphs (Karasev, 2019). Of the 64 conformations of the graph, specified by the position of the connectivity edges, and the matrices of 6 variables (x … x), x = (0, 1), 4 blocks of 16 elements each were formed. Then they were coded in the form of triplets based on the correspondence of pairs of variables to four letters of the code: 00 = C, 01 = U, 10 = G, 11 = A, and supplemented based on the known triplet-amino acid assignment.

Toward Development of a Label-Free Detection Technique for Microfluidic Fluorometric Peptide-Based Biosensor Systems.

The problems of chronic or noncommunicable diseases (NCD) that now kill around 40 million people each year require multiparametric combinatorial diagnostics for the selection of effective treatment tactics. This could be implemented using the biosensor principle based on peptide aptamers for spatial recognition of corresponding protein markers of diseases in biological fluids. In this paper, a low-cost label-free principle of biomarker detection using a biosensor system based on fluorometric registration of the target proteins bound to peptide aptamers was investigated.

Data on the application of the molecular vector machine model: A database of protein pentafragments and computer software for predicting and designing secondary protein structures.

Based on ideas about the molecular vector machine of proteins [1], a database of protein pentafragments has been created and algorithms have been proposed for predicting the secondary structure of proteins according to their primary structure and for designing the primary protein structure for a given secondary structure that it takes on. A comprehensive software suite (Predicto @ Designer) has been developed using the pentafragments database and the said algorithms. For the proteins used to create the pentafragments database, a high accuracy (close to 100%) in predicting the secondary protein structure as well as good prospects for its use for designing secondary structures of proteins have been demonstrated.

A model of molecular vector machine of proteins.

Based on the analysis of NH⋯OC bond region of the proteins pentafragments using the quantum chemistry representations, a group of 20 vectors of action has been isolated. These vectors of action are reconstructed by a group of 20 side chains of amino acids being the irreducible representations of vectors. As a result, a model of molecular vector machine of proteins (MVM) has been proposed.

Electronic Structure and Energy Transfer in Europium(III)-Ciprofloxacin Complexes: A Theoretical Study.

The structure and ligand-localized excited states of [Eu(cfqH) (cfq)(H2O)4]Cl2 (cfqH is ciprofloxacin) are studied by XMCQDPT2/CASSCF with full geometry optimization. The complex includes one anionic and one zwitterionic ligand. Two low-lying triplet states, both localized on the anionic ligand, are found.

Photochemical Behavior and Photolysis of Protonated Forms of Levofloxacin.

The effect of intermolecular proton transfer on the spectral properties of levofloxacin in the ground and excited electronic states was studied. The preferred direction of possible protolytic reactions induced by UV irradiation in this compound was studied. It was found that the proton transfer processes have a considerable effect on the capability of the compound to emit light and occur on the nanosecond timescale.

Polymorphism and intramolecular proton transfer in fluoroquinolone compounds.

Electronic absorption, luminescence, IR and Raman spectra of polymorphous forms of fluoroquinolones were investigated. Assignment of the band maxima due to π→π* and n→π* electronic transitions were done. The structural changes are responsible for the absorption band modifications.

Spectral-luminescent properties and molecular orbital treatment of some mono- and difluoroquinolones.

Electronic absorption and luminescent spectra of nonfluorinated nalidixic (nlqH) and pipemidic acid (pifqH), monofluoroquinolones - norfloxacin (nfqH) and pefloxacin (pfqH) as well as of their difluorinated analogs 1-ethyl-6,8-difluoro-1,4-dihydro-7-(1-(4-methylpiperazinyl) - 4-oxo-3-quinolinecarboxylic (mdfqH) acid and 1-ethyl-6,8-difluoro-1,4-dihydro-7-(1-piperazinyl) - 4-oxo-3-quinolinecarboxylic acid (dfqH) - were investigated. Quantum yields, lifetimes of excited states and rate constants of radiative and nonradiative transitions of the compounds were measured. The Mulliken charges of atoms from these compounds were calculated by quantum-chemical complex GAMESS.

Analgesic effect from Ibuprofen nanoparticles inhaled by male mice.

Background: Aerosol lung administration is a convenient way to deliver water-insoluble or poorly soluble drugs, provided that small-sized particles are generated. Here, for the outbred male mice, we show that the pulmonary administration of ibuprofen nanoparticles requires a dose that is three to five orders of magnitude less than that for the orally delivered particles at the same analgesic effect.

Method: The aerosol evaporation-condensation generator consisted of a horizontal cylindrical quartz tube with an outer heater.

Anti-inflammatory effect from indomethacin nanoparticles inhaled by male mice.

The respiratory system provides entry for drug nanoparticles to cure systemic diseases. The modern devices that are available on the market of therapeutic aerosol delivery systems have a number of disadvantages. There remains a need for an alternative means that is low cost, convenient, and capable of producing small-sized particles.