Delocalization quantitatively mapped for prototypic organic nitroanions as well as azidoform anions.

Delocalization of occupied orbitals impacts the chemical bonding in the simplest known pernitroanions [(NO)C] (1) and [(NO)N] (2) as well as other functionalized organic anions. By quantitatively mapping it onto molecular backbones of 1, 2, [CHNO] (3), [CHNNO] (4) and [C(N)] (6) anions (all modeled by QM calculations), the Weinhold's NBO analysis refines their chemical structure, enabling to explain and even predict their essential chemical behaviour. In detail, the HOMO of 1 and 2 is associated with the central atom to the degree of 70.

Nanosecond-Scale Isomerization of the 4'-Carboxonium Cation Oxidatively Produced in Pyrimidine Units of DNA.

The long-standing puzzle of the chemistry producing the Stubbe-Kozarich abasic site, which is the minor product in the oxidation of 2'-deoxycytidine units of DNA by Fe(II)-bleomycin, has been computationally solved in this study. Scrupulous DFT-based calculations that included extensive screening of the potential energy surface of model-solvated nucleotides and the elucidation of the chemical structure of the located nucleotide cations via natural bond orbital analysis demonstrated that the 2'-deoxycytidine unit bearing the 2'-deoxyribose ring 2e-oxidized at the 4'-position undergoes carboxonium ion- iminium ion (C═O-C → C═N) isomerization. This 1,2-elimination of the carbonyl group 4'-C═O from the carboxonium cation fragment is associated with minimal spatial reorganization of the molecule and appears to be an ultrafast reaction.

[The actual issues of development of manpower potential in health care].

The analysis was implemented concerning main directions of development of health care manpower policy in Moscow. The activities are established related to improvement of actual situation with development of potential of medical personnel, increasing of motivation ofphysicians and paramedical personnel, improvement of conditions of development of manpower resources.

[Higher mental functions and cognitive auditory event-related potentials impairment in liquidators of Chernobyl accident].

An integrated neuropsychological study and analysis of cognitive auditory event-related potentials (ERP) using the three-stimulus oddball paradigm was performed in ten subjects who participated in the liquidation of Chernobyl accident and ten healthy subjects. Impairment of higher mental functions, including aspontaneity, fatigability, a decrease in the auditory-verbal and visual memories, and higher motor function deficiency was shown in liquidators. A decrease of amplitude in all components of ERP (N1, N2 and P3) was found in liquidators for all stimuli in both experimental situations (audition of all stimuli and counting of deviant stimuli) compared to healthy subjects.

Essential reactive intermediates in nucleoside chemistry: cyclonucleoside cations.

DFT-based modeling as well as experimental examination of model keto nucleosides have revealed that high susceptibility of these compounds to acids is due to formation of intermediate cyclonucleoside cations of low energy. Theoretically established chemical structures of these previously overlooked intermediates explain the reaction courses for a cluster of nucleoside reactions.

[Analysis of protein-on-DNA binding profiles, detected with chIP-seq method, reveals possible interaction of specific transcription factors with RNA polymerase II in the process of transcription elongation].

It is thought that in the course of mRNA transcription almost all transcription factors stay on a promoter while RNA polymerase II "clears" the promoter and "proceeds" to elongation. However, analysis of some specific transcription factors and RNA polymerase II binding profiles on DNA, detected with ChIP-seq method, revealed the possibility of interaction between transcription factors and RNA polymerase II in the process of transcription elongation.

[Preferred distances between DNA binding sites for factors regulating transcription initiation].

Transcriptional regulation of gene expression in higher eukaryotes is driven by sophisticated protein complexes of transcription factors. On the DNA level, there are composite elements containing sites of different DNA-binding proteins. We use the hypoxia-response system to identify preferred localization distances for the 'hypoxia-induced factor-1 binding site-co-factor binding site" pairs in promoter DNA regions of the human genome.

[The experience of development of hi-tech medical care center].

The article deals with the results of comparative analysis of main indicators of functioning of the Penza federal center of cardio-vascular surgery in 2008 and 2009. The focus in analysis is made on the significant increase of center capacity in 2009 after the finalization of management reorganization which provided the institution with high-tech medical equipment.

[The activities of the Pensa Federal Center of Cardiovascular Surgery of Roszdrav and the issues of its resource support].

The article develops the main aspects of the activities and issues of resource support of the Pensa Federal Center of cardiovascular surgery of Roszdrav. The emphasis is made on the inadequate budget financing and the necessity to increase the regulating scopes of planning of government quota for the high-tech medical care from 881 to 3500 quotas.

[Problems licence activities on render high-technological medical care].

Enumeration of basis problems render high-technological medical care with pay attention on licence activities on render this help.

[The legal regulation of medical care in high-technology centers].

The article deals with the issues established during analysis of normative legal base regulating the activities in provision of high-technology medical care. The following positions are considered: the generation of public task to provide high-technology medical care, licensing and standardization; the issues of patients? Rights safeguard; the approaches to determine the types of high-technology medical services; the issues related to rendering paid services; the enhancement of organizational legal form of institutions rendering high-technology medical care. The recommendations on the development of the legislation in force are made.

[Features of cognitive audiory evoked potentials changes at participants of liquidation of chernobyl accident consequences the message II. the analysis of late component P300].

At 10 participants of liquidation of consequences of Chernobyl accident (middle age 50.5 +/- 4.0 years) and at 10 healthy persons (middle age 47.

[Specificity of auditory evoked potencials changes in participants of Chernobyl accident consequences: I. Analysis of early N1 component].

Amplitude-time characteristics analysis of the N1 component of auditory cognitive evoked potentials (EP) was made in 10 persons who had participated in the cleanup of the Chenobyl Accident - liquidators (mean age 50.5 +/- 4.0 years old) and in 10 healthy subjects (mean age 47 +/- 6.

[Availability and quality of hi-tech medical care: the multilevel analysis in the system "doctor-patient"].

The feature contains the results of public opinion research on accessibility and quality of high-tech medical attendance. The received data, covering a wide range of issues of organization, accessibility, quality and effectiveness of cardiac care, interaction of estimates from the positions of different groups of respondents, which may serve as basis for targeted management decisions to improve the medical care of the population by high-tech medical care in modern conditions and in the near future.

Calculated chemical shifts as a fine tool of conformational analysis: an unambiguous solution for haouamine alkaloids.

In this study, for the first time, conformational analysis by calculated chemical shifts (CCS) deals with a real conformational problem of a large biomolecule. This new methodology is applied to haouamine A, which is much more stereodynamically puzzled than the small models used to validate previous CCS-based conformational studies. Thorough NMR experiments by Zubia et al.

[Impairment of space-frequency parameters of EEG coherence during cognitive performance (consequences of Chernobyl accident)].

Changes in frequency and space parameters of the EEG coherence evoked by cognitive performance were analyzed in 13 healthy subjects and participants of the Chemobyl clean-up. In healthy subjects, the EEG coherences in the alpha and beta frequency bands were significantly increased during arithmetic count and during visuospatial performance. Each test was characterized by regionally-specific features.

N-inversion-associated conformational dynamics is unusually rapid in morphine alkaloids.

(13)C DNMR studies of codeine and sinomenine (derivatives of N-Me morphinan) indicated that N-inversion-C-N rotation (NIR) is unusually fast for these substituted piperidines when compared with other N-Me piperidines. Since only broadening, but no signal splitting, was reached at low temperatures and the difference of chemical shifts (Delta delta) for individual conformers with the equatorially and axially oriented N-Me substituent was unavailable, the limits of the NIR barrier for these amines were determined by line shape analysis using Delta delta values provided by ab initio calculations. On the basis of the comparison of experimentally determined (13)C NMR chemical shifts for tropane conformers with the ones calculated at different theory levels for this N-Me piperidine, the B3LYP/6-31G(p)/GIAO level was chosen as a sufficiently accurate method for calculations of Delta delta.

Conformational dynamics in nitrogen-fused azabicycles.

Using molecular mechanics (MM3 force field)-based methodology, conformational dynamics have been studied for 1-azabicyclo[2.2.0]hexane, 1-azabicylo[3.

Nitrogen inversion in cyclic amines and the bicyclic effect.

The hitherto unsolved problem of the origin of the unusually high nitrogen inversion-rotation (NIR) barriers in 7-azabicyclo[2.2.1]heptanes (the bicyclic effect) was examined using the natural bond orbital (NBO) approach.

Crowded piperidines with intramolecularly hydrogen-bonded nitrogen: synthesis and conformation study.

2,2,6,6-Tetramethyl substituted piperidines with a beta-branched N-alkyl substituent were synthesized by the photoreaction of N-Me precursors with ketones. The main conformation features of these sterically-hindered amines (established by NMR and IR spectroscopy) are a ring in the chair form, an eclipsed conformation for the N-substituent and an intramolecular OH..

Peptide conjugation: unexpected ring opening of azacrown ether nucleophiles in the oxazolone-based coupling.

Unexpected cleavage of the macrocylic ring of secondary azacrown ethers when interacting with the Aib8 (Aib = alpha-aminoisobutyric acid) oxazolone indicates the possibility for a new mechanism of peptide racemization due to transformations of the oxazolones formed from the N-derivatives of alpha-amino acids in peptide synthesis.

[Correction of asthenovegetative disorders in the postoperative period in pulmonary tuberculosis patients].

Unlabelled: 58 patients with asthenia were observed during postoperative period after surgery treatment of tuberculosis. All of the patients were divided into two groups: 34 patients taking anti tuberculosis drugs and Stimol, and 24 patients taking only anti tuberculosis drugs. Following method where used to appreciate states of the patients: scales of Symptoms Check List--90, acid-base and gas state of blood, EKG, ECHOKG, KIG, Contactles Spirometry.

[External respiration function in patients with exudative pleurisy before and after video-thoracoscopic operations].

57 patients with exudative pleurisy were observed. Function of external respiration was examined with traditional spirometry and a new method--distant spirometry. Function of cardio-vascular system was examined with electrocardiography and echocardiography.

[Videothoracoscopy in diagnosing and treating exudative pleuritis].

Telethoracoscopy (TT) was performed in 76 patients with exudative pleurisy of unclear etiology. A correct diagnosis was made in all (100%) cases. Tuberculosis was detected in 41 (54%) patients.