Quantum-chemical modeling of cortisone-fullerenol agents of cancer therapy

In order to therapeutically destroy oncological neoplasms, chemotherapy or radiotherapy is usually applied, and in isotope medicine – short-lived radio nuclides are injected into the tumor (59Fe, 90Y, 95Zr, 99mTc, 106Ru, 114*In, 147Eu, 148Eu, 155Eu, 170Tm, 188Re, 210Po, 222Rn, 230U, 237Pu, 240Cm, 241Cm, 253Es). Binary (or neutron capture) therapy is a technology developed for the selective effect on malignant tumors using drugs that are tropic to tumors and contain non-radioactive nuclides (10B, 113Cd, 157Gd at al.). Triadic therapy involves the sequential introduction into the body of a combination of two or more separately inactive and harmless components, which are tropic to tumor tissues and capable of selectively accumulating in them or chemically interacting with each other and destroying tumor neoplasms under the action of certain sensitizing external influences. The aim of this work is quantum-chemical simulation of the electronic structure and analysis of the thermodynamic stability of new cortisone-fullerenol agents for the treatment of tumor neoplasms. The need for preliminary studies of modeling such objects is due to the very high labor intensity, cost and complexity of their practical production.

Estimation of radiological parameters associated with mining and processing of coastal sand in Binh Dinh province, Vietnam

In Vietnam mining industry is significantly contributing to the socio-economicdevelopment. For the industrialization, many kinds of minerals are being exploited and processed that caused the Earth surface to be disconcerted leading to the increase of erosion of soil that possibly carries radioactive nuclides of the natural radioactive chains. Mining could cause increasing radioactive background to the miners as well as to the public members around the mines. This paper presents radiological parameters associated with mining and processing ilmenite minerals in coastal sand for titanium for export in Binh Dinh province, Central Part of Vietnam.

Comparative studies on the adsorption of various radioactive nuclides from waste aqueous solutions on graphene oxide, inorganic and organic ion exchangers

Adsorption of the radionuclides 141Ce, 140La, 140Ba, 137+134Cs, 131I, 125Sb, 103Ru, 95Nb and 95Zr are studied on graphene oxide from waste aqueous solution samples and their adsorption behaviors are compared to that on the inorganic ion exchanger Ceric tungstate as well as on the strong acidic cation exchanger Dowex-50X8 H+ form, the chelating resin Chelex-100 Na+ form and the strong basic anion exchanger AG-1X8 Cl− form. The waste samples are dilute aqueous solutions resulting from previous work. These solutions contained neither oxidizing nor reducing agents, consequently, it is expected that these radionuclides are existing in their most stable oxidation states, i.e. Ce(III), La(III), Ba(II), Cs(I), Ru(III) & (IV), Sb(III) & (V), Nb(V) and Zr(IV). The adsorption is studied under static conditions for all these radioactive nuclides in the presence of each other. Gamma radiometric analysis is carried out for these radionuclides. Effect of some factors on the adsorption is studied such as pH, graphene oxide particle sizes, contact time, temperature and other parameters. Complete removal of some radionuclides is achieved from these waste solutions by adsorption on graphene oxide. Some separation alternatives for some of these radionuclides are also achieved.

Environmental evaluation of nuclide pollution rate of podzolized chernozem after long land use

At present, the development of agriculture is impossible without the use of fertilizers which provide increased soil fertility and yields as well as improve the quality of agricultural products. However, it can lead to signifcant changes in the composition, properties and formation of arable soil regimes. First of all, the negative influence of fertilizer materials on the environment is related to their chemical composition and presence of ballast substances. The maximum permissible concentrations of chemical elements in the soil must be taken into account under applying fertilizer materials for each crop. The research was conducted under the conditions of a long stationary feld experiment using different levels of mineral fertilizers of N 45P45K45, N90P90K90 and N135P135K135. . The research results reveal that different doses of mineral fertilizers have an effect on the change of the specifc activity of radioactive isotopes in the soil (226Ra, 232Th, 40K, 137Cs, 90Sr) in their long-running application (50 years). The specifc activity of radionuclides in podzolized chernozem and in winter wheat grain was established. Winter wheat plants accumulated 232Th most of all but the use of fertilizers reduced it due to biological dilution in larger mass of the crop. The absorption of radioactive nuclides by winter wheat grain after cultivation after peas and silage corn depended on fertilization varied similar to that of the clover predecessor. According to the specifc activity of radioactive nuclides in the soil and winter wheat grain, the coefcient of their biological absorption is calculated. Absorption of radionuclides by soil prevents them from moving through the profle and further penetration into groundwater. Thus, their specifc activity was two times lower at the depth of 40–60 cm than in the soil layer of 0–20 cm. This indicates that radioisotopes are fxed in the upper layers of the soil which in turn increases their entry into crop production. Key words: radioactive isotopes, radium, thorium, potassium, cesium, strontium, specifc activity of radioactive nuclides.

Study and development of hardening mixture composition based on unconventional industrial waste

Relevance. Phosphogypsum, the product of apatites chemical processing, is one of the most common mining wastes. Phosphogypsum utilization is not widespread yet, therefore its cost is low. Integrated research has been carried out to determine the technological capacity and economic feasibility of phosphogypsum, sludge, and dolomite utilization as binders in the conversion of ore production techniques. Research aim is to develop a hardening mixture composition based on unconventional industrial waste, determine the technological capacity and economic feasibility of utilizing phosphogypsum, sludge, dolomite, and other accessible low activity wastes as a substitute for expensive and relatively scarce binder material. Research methodology. Initial data are studied of the wastes possessing binding properties. The efficiency of admixing them is determined from the robustness of hardening backfill mixtures control samples that have been produced in laboratory conditions. Based on the research, a database is created to apply the results in practice for mining development. Results. The hardening materials compositions were obtained based on unconventional industrial waste including hydrometallurgical and dressing tailings, furnace clinker, low-grade sand, thermal power plants (TPP) and chemical industry ashes. The optimal composition of the mixture per cubic meter: tailings – 600–750 kg; TPP ash – 180–220 kg; cement dust – 250–315 kg; cement – 35–40 kg; tempering water – 450–515 l under the mixture’s fluidity of about 14 cm according to the readings of the mortar consistency measuring device (StroyTsNIL cone). To ensure radiation safety of the hardening mixture that is based on unconventional industrial waste, it is advisable to take into account not only their chemical and physical-mechanical indicators but the value of naturally radioactive nuclides’ effective activity as well. Conclusions. It has been stated that the robustness of mixtures containing gypsum is 1.5–2.0 times higher, and under the hardening time of 3, 6 and 12 months makes up 3.1; 5.7 and 7.6 MPa correspondingly. It has been shown that the compositions with the binder’s flow rate of 450 kg per cubic meter under the cement : sludge ratio of 1 : 2 show the robustness from 2.8 to 4.9 MPa in 28 days. The content of low-grade sand levigate particles reaches 20% and more. Classes with a specific area of 28.4 m2/kg refer to fine sand, and with a specific area of 27.7 m2/kg refer to medium sand. The robustness of the 28 days old composition reaches 0.5 MPa, 90 days – 0.9 MPa depending on the cement flow rate. It has been substantiated that binders based on fluorine gypsum, phosphogypsum, and belite sludge by mixed grinding of the granulated 26 "Izvestiya vysshikh uchebnykh zavedenii. Gornyi zhurnal". No. 3. 2021 ISSN 0536-1028 blast-furnace slug with the ferrochrome sludge and phosphogypsum up to 70%, 0.08 mm size, show the robustness of the binder up to 3.0 MPa with the flow rate of 450 kg per a cubic meter of the mixture. Keywords: industrial waste; hardening mixture; binder; PPT ash; ash and slag; cement; fluorine gypsum; phosphogypsum; non-reactive aggregate; belite sludge; naturally radioactive nuclides. Acknowledgements. Specialists from Platov South-Russian State Polytechnic University (Novocherkassk, Russia), Ukrainian Research and Design Institute of Industrial Technology (Zhovti Vody, Ukraine), Vostochnyy (Eastern) Mining and Enrichment Combine (Zhovti Vody, Ukraine), Dnipro University of Technology (Dnipro, Ukraine) and others took part in creating, improving, and introducing R&D.

Changes in analytical characteristics of pectic substances when freezing berries

Pectin substances are valuable components of plant cells. They have properties that allow them to be used in various industries - water retaining, gel-forming and complexing abilities. The most important property that has a positive impact on human health is the complexing ability. It is the property of pectin substances to bind heavy and toxic metals, radioactive nuclides, free radicals and other toxins in insoluble complexes and remove them from the human body. Due to their complexing ability pectin substances are used in medicines aimed at reducing cholesterol in the body, prolonging the effect of drugs, reducing the body’s allergic reactions to various substances. This property depends on the analytical characteristics of pectin substances and may vary depending on the type of raw material and the method of its processing. Currently, freezing is commonly used to preserve various types of fruits and berries, especially perishable ones. There are data in the literature about changes of pectin substances in various plant raw materials, but there are not enough data about changes of analytical characteristics of pectin substances during freezing and storage and their influence on the complexing ability. The article presents a study of the analytical characteristics of pectin substances contained in red and black currant berries during the process of their freezing and storage at low temperatures. Studies on their influence on the change in the complexing ability are presented.

Crystal structure determination of kosnarite, KZr2(PO4)3, from the Mario Pinto Mine, Jenipapo district, Itinga, Brazil

ABSTRACT The crystal structure of a natural kosnarite, KZr2(PO4)3 from the Mario Pinto Mine, Jenipapo district, Brazil, has been determined for the first time. Kosnarite and its related synthetic compounds (NZP) are open-framework orthophosphates of the type ([6]M′[8]M′′)L2(TO4)3 (where M = Li, Na, K, Rb, Cs; L = Ti, Zr, Hf; and T = P, Si). These compounds have been proposed as potential radioactive waste hosts as a result of their physiochemical properties and because their crystal structure allows for extreme isomorphism and incorporation of all 42 radioactive nuclides present in nuclear waste. Kosnarite from the Mario Pinto mine is hexagonal, Rc, with a = 8.7205(1), c = 23.9436(3) Å, and V = 1576.89(4) Å3. The average chemical formula (n = 75) is (K0.96Na0.02)Σ0.98(Zr1.93Hf0.08)Σ1.01(P2.99Si0.01)Σ3.00O12. The structure contains one six-coordinated Zr site (L), one four-coordinated P site (T), and a six-coordinated K site (M′); in kosnarite, the M″ site is vacant. The average bond lengths in the ZrO6 octahedra (2.0646 Å) and PO4 tetrahedra (1.5278 Å) are slightly larger than those observed in the synthetic analogue (<Zr–O> = 2.063 Å, <P–O> = 1.522 Å). The ZrO6 octahedra and PO4 tetrahedra share corners to form ribbons of [Zr2(PO4)3]– units parallel to the c axis, which are further joined by PO4 tetrahedra perpendicular to c to form a 3D network. Kosnarite is one of only five natural alkali zircono-orthophosphates, all of which are late-stage hydrothermal minerals. Although synthetic Na-dominant endmember analogues of kosnarite exist, the distortions in the structure with respect to the M and L octahedra, along with experimental evidence at hydrothermal temperatures, suggest that only K (or Li) endmembers are possible in nature.