This study employs an analysis of the per-electron potentials and the superposition of the electrostatic and kinetic force fields, () and (), and the gradients of the potential energy and one-electron densities to investigate the binding mechanism in trimethylenemethane iron tricarbonyl complex (TMM)Fe(CO). Our approach permits the delineation of the "ligand-binding" force field generated by the metal nucleus but partially operating within the ligand atoms. A mechanical rationale for metal-ligand interactions is thus presented: In the corresponding area, the attractive force () provides the backdrop against which the homotropic static force () and the heterotropic kinetic force () exert attractive and repulsive influences, respectively, toward the metal nucleus on a portion of the electrons belonging to the ligand atoms.
View Article and Find Full Text PDFThis paper presents the quantum-topological binding approach, in which the electrostatic and total static force density fields, () and , together with the electron density gradient field ∇ρ(), are simultaneously analyzed to elucidate the chemical structure of transition states and the nature of interatomic interactions for semibroken semiformed partial chemical bonds. The approach attributes the discrepancies between the force fields and () to the nonclassical electron-electron interaction effects. The internuclear gap between the zero-flux boundaries of () and ∇ρ() indicates the interatomic charge transfer phenomenon (ICT) that occurs upon the formation of a system from free atoms.
View Article and Find Full Text PDFThe chemical structure of diborane was elucidated through the superposition of the vector fields of the electron density gradient ∇ρ(), the electrostatic force (), and the kinetic force (), together with the analysis of the cumulative charges of the atoms and pseudoatoms delimited in the aforementioned fields. It was proposed that the -pseudoatomic charge could be employed as a metric for quantifying the ionic component of a related atomic charge. The electron permeability across an internuclear turning surface─specifically, the zero-flux surface in ()─was characterized by probing it through mapping the total static potential φ().
View Article and Find Full Text PDFProcessing CO into value-added chemicals and fuels stands as one of the most crucial tasks in addressing the global challenge of the greenhouse effect. In this study, we focused on the complex (dpp-bian)NiBr (where dpp-bian is di-isopropylphenyl bis-iminoacenaphthene) as a precatalyst for the electrochemical reduction of CO into CH as the sole product. Cyclic voltammetry results indicate that the realization of a catalytically effective pattern requires the three-electron reduction of (dpp-bian)NiBr.
View Article and Find Full Text PDFMetallocenes are highly versatile organometallic compounds. The versatility of the metallocenes stems from their ability to stabilize a wide range of formal electron counts. To date, d-block metallocenes with an electron count of up to 20 have been synthesized and utilized in catalysis, sensing, and other fields.
View Article and Find Full Text PDFWe considered it timely to test the applicability of transferable multipole pseudo-atoms for restoring inner-crystal electronic force density fields. The procedure was carried out on the crystal of 1,3-bis(2-hydroxyethyl)-6-methyluracil, and some derived properties of the scalar potential and vector force fields were compared with those obtained from the experimental multipole model and from the aspherical pseudo-atom model with parameters fitted to the calculated structure factors. The procedure was shown to accurately replicate the general vector-field behavior, the peculiarities of the quantum potentials and the characteristics of the force-field pseudoatoms, such as charge, shape and volume, as well as to reproduce the relative arrangement of atomic and pseudoatomic zero-flux surfaces along internuclear regions.
View Article and Find Full Text PDFInfectious endocarditis (IE) is a contagious polyposis ulcerative inflammation of the endocardium, accompanied by lesions of the heart valve apparatus and endothelium by various pathogenic and opportunistic pathogens. Mainly mitral and aortic valves are affected, less often - tricuspid valve. The purpose of this study was to report two cases of IE in cats.
View Article and Find Full Text PDFUnlabelled: was to analyze the immune-inflammatory profile of patients with paranoid schizophrenia and relate it to the severity of negative symptoms and the MRI data in order to identify biomarkers of schizophrenia severity, search for new approaches to therapy, and control its effectiveness.
Materials And Methods: The main group included 51 patients with paranoid schizophrenia, the control group - 30 healthy subjects. Patients underwent MRI scans and immunological studies, which included an assessment of natural and adaptive immunity, the systemic level of key pro-inflammatory and anti-inflammatory cytokines, and other markers of inflammation.
Zh Nevrol Psikhiatr Im S S Korsakova
December 2020
Objective: To search for the relationship between the results of functional imaging, immunological parameters and laboratory markers of inflammation in schizophrenia, taking into account cognitive impairment in patients, and to consider the possibility of using a multidisciplinary approach to diagnosis, treatment and prognosis of schizophrenia.
Material And Methods: The study included 25 patients with schizophrenia and 13 healthy volunteers. Psychiatric scales were administered to evaluate the patient's condition.
Recently, the dynamic properties of brain activity rather than its stationary values have attracted more interest in clinical applications. It has been shown that brain signals exhibit scale-free dynamics or long-range temporal correlations (LRTC) that differ between rest and cognitive tasks in healthy controls and clinical groups. Little is known about how fear-inducing tasks may influence dispersion and the LRTC of subsequent resting-state brain activity.
View Article and Find Full Text PDFIn the present study, we combine linguistic annotation of oral texts in Russian with the registration of BOLD signal in functional MRI experiments to determine how and where semantic categories are represented in the human brain. Using the same stimuli material, we also analyze the differences in cortical activation in three thematic domains: description of nature, description of working principles of technical devices and more self-referential texts, addressing the question of human identity in conflict situations. We discuss methodological problems within the two approaches (microanalysis and macroanalysis) to study brain activation in natural conditions, i.
View Article and Find Full Text PDFLateral asymmetry is one of the fundamental properties of the functional anatomy of the human brain. Amygdala (AMYG) asymmetry was also reported in clinical studies of resting-state functional connectivity (rsFC) but rarely in healthy groups. To explore this issue, we investigated the reproducibility of the data on rsFC of the left and right AMYG using functional MRI twice a week in 20 healthy volunteers with mild-to-moderate anxiety.
View Article and Find Full Text PDFVet Parasitol Reg Stud Reports
December 2016
Dirofilariosis is a cosmopolitan vector-borne transmitted disease whose causal agents in Europe are D. immitis and D. repens.
View Article and Find Full Text PDFThe purpose of this paper was to study causal relationships between left and right hippocampal regions (LHIP and RHIP, respectively) within the default mode network (DMN) as represented by its key structures: the medial prefrontal cortex (MPFC), posterior cingulate cortex (PCC), and the inferior parietal cortex of left (LIPC) and right (RIPC) hemispheres. Furthermore, we were interested in testing the stability of the connectivity patterns when adding or deleting regions of interest. The functional magnetic resonance imaging (fMRI) data from a group of 30 healthy right-handed subjects in the resting state were collected and a connectivity analysis was performed.
View Article and Find Full Text PDFThe Default Mode Network (DMN) is a brain system that mediates internal modes of cognitive activity, showing higher neural activation when one is at rest. Nowadays, there is a lot of interest in assessing functional interactions between its key regions, but in the majority of studies only association of Blood-oxygen-level dependent (BOLD) activation patterns is measured, so it is impossible to identify causal influences. There are some studies of causal interactions (i.
View Article and Find Full Text PDFIn this work, the investigation of network activity of mirror neurons systems in animal brains depending on experience (existence or absence performance of the shown actions) was carried out. It carried out the research of mirror neurons network in the C57/BL6 line mice in the supervision task of swimming mice-demonstrators in Morris water maze. It showed the presence of mirror neurons systems in the motor cortex M1, M2, cingular cortex, hippocampus in mice groups, having experience of the swimming and without it.
View Article and Find Full Text PDFEpidemiological data on canine and human dirofilariosis in the Rostov Region (Southern Russia) are presented. Prevalence of Dirofilaria spp. infections in 795 autochthonous dogs, assessed by the Knott test, was 20.
View Article and Find Full Text PDFAs many as 308 patients with stage IV ovarian carcinoma (OC) were examined to assess effectiveness of employing platinum drugs (CP and CAP)-based chemotherapy regimens depending on the degree of differentiation of tumor cells, on the extent to which the process has been disseminated, and on the cytostatics regimens adopted. Standard chemotherapy regimens permitting maintaining the standard "intensity" of the cytostatic dose have been shown to improve OC treatment results, especially in those patients presenting with medium and high-grade (poorly differentiated) tumors. Patients with low-grade tumors derive benefit when placed on the above chemotherapy at 4 weeks intervals whereas those with medium- and high-grade tumors benefit from treatments on a 3-week interval schedule.
View Article and Find Full Text PDFIn examining 502 female patients with cancer of the ovaries (OC) infertility was identified in 21.9 percent of cases. The prevalent form of infertility was tubal infertility (92.
View Article and Find Full Text PDFTo establish the effect of autolymphochemotherapy on enzymatic and non-enzymatic systems of antioxidant protection of plasma and formed elements in blood of lung cancer patients, certain indices of peroxidation processes were simulated using a model containing blood and autolymph (with chemopreparations) sampled from patients with lung tumors. Autolymph injection into the patients' blood stream was followed on the basis moderate stress reaction which of caused reactions of endogenous antioxidants to oscillate. However, the structure and function of cellular membranes of formed elements were not affected.
View Article and Find Full Text PDFThe influence of homolymph and of that incubated with chemopreparations on in vitro activity of antioxidants of blood was compared to establish a possible mechanism of effective application of homolymphochemotherapy for locally advanced tumors of the lung. As a result of homolymph injection into the blood, mainly non-enzymatic systems of antioxidant defense by lymphocytes were affected. This was probably due to their being disposed of in the course of host-against-transplant reaction to heterogenous antigens of donor lymph.
View Article and Find Full Text PDFIndices of lipid peroxidation in lymph from lung cancer patients before and after chemotherapy were studied. Chemotherapeutic drugs were shown to exert a moderate stressor effect on lymph by triggering oscillating reactions of endogenous antioxidant systems. Stress releases a pool of low-molecular weight antioxidants.
View Article and Find Full Text PDFThe authors have analyzed therapeutic pathomorphosis of carcinoma of the ovaries in 66 patients depending on the number of courses received and histological structure of the tumour. It has been established that the most serous carcinoma of the ovaries does not practically respond to the one course of chemotherapy while its metastases to the omentum do so better. Increase in the number of courses of chemotherapy promotes regression of primary tumour.
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