A new method of visualization of lone pairs is proposed using fluorine atoms in fluoroacetylene, trifluoroethylene, and fluoroform (sp, sp 2 , and sp 3 hybridized carbons) as an example. The space around fluorines was probed by a helium atom and at each point 3 He NMR chemical shift δ He and its Laplacian r 2 δ He were calculated. The r 2 δ He isosurfaces have symmetrical toroidal shapes along CF axes; the maximum values of r 2 δ He are reached at about 1.5 Å from fluorine atom center in the direction roughly coinciding with the lone pair localization. The absolute values of the r 2 δ He could be used to quantify the electron-rich regions of lone pairs. The results are compared with more common visualization methods-3D maps of the molecular electrostatic potential and the electron localization function. We show that a helium atom could be used for evaluation of fine features of molecular electronic shell, since 3 He NMR spectral characteristics remain sensitive at relatively large distances.
In this work, we present the first results of outer electronic shell visualization by using a He atom as a probe particle. As model objects we have chosen F, FH, and FH species, as well as the hydrogen-bonded complex FH···F at various H···F distances (3.0, 2.5, 2.0, and 1.5 Å and equilibrium at ca. 1.14 Å). The interaction energy of investigated objects with helium atom (CCSD/aug-cc-pVTZ) and helium atom chemical shift (B3LYP/pcS-2) surfaces were calculated, and their topological analysis was performed. For comparison, the results of standard quantum mechanical approaches to electronic shell visualization were presented (ESP, ELF, ED, ∇ED). We show that the Laplacian of helium chemical shift, ∇δ, is sensitive to fluorine atom lone pair localization regions, and it can be used for the visualization of the outer electronic shell, which could be used to evaluate the proton accepting ability. The sensitivity of ∇δ to lone pairs is preserved at distances as large as 2.0-2.5 Å from the fluorine nucleus (in comparison with the distance to ESP minima, located at 1.0-1.5 Å or maxima of ELF, which are as close as 0.6 Å to the fluorine nucleus).
Primary cutaneous lymphomas are quite rare in children. Clinical and histopathological manifestations of these diseases in children differ significantly from those in adults. Due to their rarity and complex clinical presentation, diagnosis may take long time. Mycosis fungoides (MF) is the most commonly diagnosed form of primary cutaneous lymphomas in childhood. There are no clinical guidelines for the treatment of children. Literature data on MF variants in children are scarce; the largest study includes 34 patients who were diagnosed on average 4 years after the onset of the first symptoms. In the present article we describe a clinical case of MF in an 11-year-old child with an 8-year history of multiple lesions of the skin and scalp. The patient's parents gave their consent to the use of their child's data, including photographs, for research purposes and in publications. The aim of our article is to demonstrate the problems in the diagnosis of the disease, especially at an early stage, because its symptoms may be similar to those of many common pediatric inflammatory skin conditions.
The conditions of the modern pharmaceutical market determine a number of additional requirements to the list of professional competencies of pharmaceutical employees who must be fluent in key aspects of management, search for new active substances, pharmaceutical development, preclinical and clinical studies, registration, as well as marketing and post-marketing research. Taking into account a rather wide and specific range of tasks of the pharmaceutical industry, today there is an urgent need to improve the training of future international-level pharmaceutical specialists with a focus on a more complete realization of their personal potential. The aim of the research is to evaluate the effectiveness of the developed methodology of a new format of training a special discipline in a foreign language at a non-linguistic pharmaceutical university. The paper presents the content and structure of the discipline Management in Pharmacy in a foreign language (English), as well as the features of the students groups formation and approaches to teaching, including the provision of materials in accordance with the level of language proficiency of students. The key points of interaction with residents for more efficient work and increasing their motivation in the educational process have been identified. The methodology for effective training of theoretical material in the discipline Management in Pharmacy was developed on the basis of the Federal State Budgetary Educational Institution of Higher Education SPCFU of the Ministry of Health of Russia, which combines the simultaneous study of theory and the possibility of practicing a foreign language. This method was called practical communicative lectures. The methodology was tested on university residents in the first term of the 2021-2022 academic year. Evaluation of the results of preliminary and final testing shows that absolutely all the students who took part in the experiment have improved their level of English proficiency. This indicates the high effectiveness of the course and methodology for the practice of a foreign language in terms of listening, speaking and reading of professional literature, as well as reducing the language barrier.
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