Prevention of HIV and Associated Infections among Adolescents and Young People at High Risk of Infection : Methodology Guide

Methodology Guide on Prevention of HIV and Associated Infections among Adolescents and Young People at High Risk of Infection was prepared as part of project “Building capacity in prevention of HIV and associated infections among youth at high risk in the Northern Dimension area” (cf. www.ndphs.org/?database,view,project,1467) co-funded by the European Union. The project was implemented from September 1, 2013 to August 31, 2015 by the project consortium led by Secretariat of the Northern Dimension Partnership in Public Health and Social Well-being (NDPHS) and including also Regional NGO “Stellit”, National Institute for Health and Welfare, Kaliningrad Regional Non-governmental Youth Organisation “Young Leaders Army” (YLA), Social AIDS Committee and Baltic HIV Association. The Methodology Guide contains overview of theories applicable for addressing the priorities of HIV and associated infections prevention among adolescents and young people at high risk of infection, theories which might be used to evaluate the effectiveness of prevention programs. It provides the results of assessment of needs of children and young people at high risk of infection in prevention programs, overview of prevention programs implemented in Russia, Latvia, Poland, Finland and Germany which might be recommended to be spread to other countries of the NDPHS and examples of tool which might be used in prevention work. The Methodology Guide might be useful for authorities, representatives of governmental organizations, NGOs, international organizations, public health specialists and other experts involved into HIV and associated infections prevention among children and young people. The Methodology Guide is available for downloading at: http://urn.fi/URN:NBN:fi-fe2015102715069. Other methodological materials produced within the project can be downloaded at: https://www.thl.fi/en/web/thlfi-en/about-us/organisation/departments-and-units/administration-and-development/planning/international-affairs-unit/projects

On complex-valued 2D eikonals. Part four: continuation past a caustic

Theories of monochromatic high-frequency electromagnetic fields have been designed by Felsen, Kravtsov, Ludwig and others with a view to portraying features that are ignored by geometrical optics. These theories have recourse to eikonals that encode information on both phase and amplitude -- in other words, are complex-valued. The following mathematical principle is ultimately behind the scenes: any geometric optical eikonal, which conventional rays engender in some light region, can be consistently continued in the shadow region beyond the relevant caustic, provided an alternative eikonal, endowed with a non-zero imaginary part, comes on stage. In the present paper we explore such a principle in dimension $2.$ We investigate a partial differential system that governs the real and the imaginary parts of complex-valued two-dimensional eikonals, and an initial value problem germane to it. In physical terms, the problem in hand amounts to detecting waves that rise beside, but on the dark side of, a given caustic. In mathematical terms, such a problem shows two main peculiarities: on the one hand, degeneracy near the initial curve; on the other hand, ill-posedness in the sense of Hadamard. We benefit from using a number of technical devices: hodograph transforms, artificial viscosity, and a suitable discretization. Approximate differentiation and a parody of the quasi-reversibility method are also involved. We offer an algorithm that restrains instability and produces effective approximate solutions.Comment: 48 pages, 15 figure

Mono- And bisphenanthroline complexes of chromium group metals with conjugated heterodienes – A theoretical and experimental study

© 2020 Kazan Federal University. All rights reserved. A theoretical study was carried out (with the help of the density functional method, based on LANL2DZ and the modified BHandHLYP functional) for the energy, electronic, and geometric properties of (heterodien)M(phen)(CO)2 and (heterodien)M(phen)2 complexes. The obtained results indicate the possibility of using phenanthroline ligand to stabilize heterodiene structures. A number of previously undescribed carbonylphenanthroline, bis-phenanthroline carbonyl, oxodien- and thioxodienfenanthroline (and bis-phenanthroline oxodien/thioxodien) coordination compounds were synthesized. A low lability of the phenolanthroline-stabilized organometallic compound was demonstrated by the NMR studies. The prospects of applying phenanthroline as a “ligand standard” to synthesize organometallic compounds of VI-group metals were confirmed. Dimethylphosphite was added via a multiple C=O bond of the oxodiene and dienone complexes of the chromium group metals

Mono- and bisphenanthroline complexes of chromium group metals with conjugated heterodienes – a theoretical and experimental study

A theoretical study was carried out (with the help of the density functional method, based on LANL2DZ and the modified BHandHLYP functional) for the energy, electronic, and geometric properties of (heterodien)M(phen)(CO)2 and (heterodien)M(phen)2 complexes. The obtained results indicate the possibility of using phenanthroline ligand to stabilize heterodiene structures. A number of previously undescribed carbonylphenanthroline, bis-phenanthroline carbonyl, oxodien- and thioxodienfenanthroline (and bis-phenanthroline oxodien/thioxodien) coordination compounds were synthesized. A low lability of the phenolanthroline-stabilized organometallic compound was demonstrated by the NMR studies. The prospects of applying phenanthroline as a “ligand standard” to synthesize organometallic compounds of VI-group metals were confirmed. Dimethylphosphite was added via a multiple C=O bond of the oxodiene and dienone complexes of the chromium group metals

Selection of Appropriate Quantum-Chemical Model for Calculations of Properties of Chromium Group Complexes via DFT

The selection of a pair of functional/basis for the most adequate quantum-chemical determination of the geometric and electronic properties of chromium group metal complexes with polydent heterocyclic ligands has been carried out. When selecting a suitable model, such parameters as allowable accuracy and acceptable time of calculation have been taken into account. It has been found that the accuracy of calculations depends on the number of basis functions in-volved in the calculation model – the error tends to decrease with the increase in their number. The ac-curacy of calculations also increases with introduction of the polarized orbitals 2d2p and 3df3pd in the quantum-chemical model and the diffuse orbitals p, pp, ppp in the basis, respectively. The results obtained by using non-hybrid functionals with large basis functions are comparable to the calculations performed in less time with the help of hybrid functionals. The optimal ratio for the accuracy of calculation results compared to the time for study of the coordi-nation compounds can be achieved by using the PBE0 hybrid functional and TZVPP basis functions