THE THEORETICAL EVALUATION OF THE HYDROGEN PEROXIDE ELECTROCHEMICAL SENSING, BASED ON CoSn(OH)6

The possibility of the electrochemical execution of hydrogen peroxide sensing on CoSn(OH)6 has been evaluated from the mechanistic theoretical point of view. The correspondent model has been developed and analyzed by means of linear stability theory and bifurcation analysis. It was shown that this material may be an excellent electrode modifier for H2O2 electrochemical detection, and the electrochemical analysis is realized in a plausible way. The electroanalytical process is diffusion-controlled. The oscillatory and the monotonic instabilities in this system are possible, being caused not only by electrochemical factors, but also by those of autocatalytic behavior during H2O2 reductio

Psychocorrection of Adolescents 'Anxiety by Music Therapy

Personal anxiety in adolescence is largely determined by psychological factors (personal, adaptive, motivational), and the correction of personal anxiety in adolescents is possible by combining two areas of work: reducing the effects of psychological factors on its occurrence; development of constructive forms of behavior in psychogenic situations, in conditions of increased anxiety through the use of music therapy. The aim of the study is to study the state of anxiety in adolescence after psychocorrection by music therapy. A set of methods was used to study the psychological features of anxiety in adolescents, ways to overcome and level before and after the psychocorrection program. There are a number of positive changes in the indicators of personal and motivational factors of anxiety: an increase in self-esteem and responsibility, increased self-esteem, which, in turn, led to a decrease in the difference between this indicator and the level of claims, a change in attitude realistic type, changing the distribution of affiliation motives and achieving in favor of the motive of the desire to accept and the desire to succeed, respectively. The effectiveness of the corrective effect was manifested in the change in the distribution of subjects by levels of anxiety. A high level of personal anxiety was recorded, after the implementation of the program it halved. During the study, a number of positive changes in the indicators of personal and motivational factors of anxiety were recorded. The results show, however, that psychocorrectional work with music therapy is effective in the work of a psychologist. The obtained results can be used both during the training of future psychologists, the development of a psycho-correctional program and during family counseling.</em

THE MATHEMATICAL DESCRIPTION OF STEVIOL ELECTROCHEMICAL OXIDATION ON CARBON ELECTRODES IN NEUTRAL MEDIA

The steviol electrochemical oxidation, realized for electroanalytical purposes, was theoretically evaluated. The mechanism for steviol electrooxidation has been suggested, and the correspondent mathematical model has been evaluated by means of the linear stability theory and bifurcation analysis. It was shown that, despite of the possibility of Kolbe electrochemical decarboxylation and its influences, the steady-state stability is easy to maintain. The oscillatory and monotonic instabilities for this case are more probable than for the similar ones

The Theoretical Description for Chlorantraniliprole Electrochemical Determination, Assisted by Squaraine Dye – Nano-CuS Composite

The theoretical description for the chlorantraniliprole electrochemical determination, assisted by the hybrid composite of squaraine dye with CuS nanoparticles has been described. The correspondent reaction mechanism has been proposed, and the correspondent mathematical model has been developed and analyzed by means of linear stability theory and bifurcation analysis. It has been shown that the chlorantraniprole electrochemical anodical determination on high potential may be efficiently provided by cupper sulfide nanoparticles, stabilized by the squaraine dye. On the other hand, the oscillatory and monotonic instability is also possible, being caused by DEL influences of the electrochemical stage. DOI:&nbsp;http://dx.doi.org/10.17807/orbital.v13i3.151

Theoretical Description for Omeprazole Cathodical Electrochemical Determination, Assisted by Omeprazole Electrochemical Determination, Assisted by the Composite Poly(1,2,4-triazole) – VO(OH)

Abstract: In this work, we describe theoretically the possibility of omeprazole electrochemical determination, assisted by the composite containing vanadium oxyhydroxide as an active substance and the polymer of 1,2,4-triazolic derivative as a mediator. The omeprazole molecule undergoes a sulfoxide to sulfide reduction process over a trivalent vanadium compound. The vanadium oxyhydroxide, at its turn, may be oxidized to a tetravalent state, represented in two forms. The electroanalytical process behavior will be illustrated by a trivariate equation-set, analysis of which confirms the efficiency of the composite of poly (1,2,4-triazole) with VO(OH). Vanadium (III) oxyhydroxide may be efficiently used for omeprazole detection both in pharmaceutical formulations, food, and biological liquids

AI is a viable alternative to high throughput screening: a 318-target study

: High throughput screening (HTS) is routinely used to identify bioactive small molecules. This requires physical compounds, which limits coverage of accessible chemical space. Computational approaches combined with vast on-demand chemical libraries can access far greater chemical space, provided that the predictive accuracy is sufficient to identify useful molecules. Through the largest and most diverse virtual HTS campaign reported to date, comprising 318 individual projects, we demonstrate that our AtomNet® convolutional neural network successfully finds novel hits across every major therapeutic area and protein class. We address historical limitations of computational screening by demonstrating success for target proteins without known binders, high-quality X-ray crystal structures, or manual cherry-picking of compounds. We show that the molecules selected by the AtomNet® model are novel drug-like scaffolds rather than minor modifications to known bioactive compounds. Our empirical results suggest that computational methods can substantially replace HTS as the first step of small-molecule drug discovery

THE THEORETICAL EVALUATION OF THE POSSIBILITY OF THE CoO(OH)-ASSISTED PARAQUAT ELECTROCHEMICAL DETECTION

The possibility of use of cobalt(III) oxyhydroxide as an electrode modifier in electrochemical analysis of paraquat pesticide has been evaluated from the theoretical point of view. The electrochemical function mechanism has been suggested, and the correspondent mathematical model has been analyzed by means of linear stability theory and bifurcation analysis. It was shown that the cobalt(III)oxyhydroxide may be efficient cathode modifier for paraquat electrochemical reduction in neutral media. The steady-state stability is maintained in vast parameter region. The possibility for oscillatory and monotonic instabilities has also been verified

THE MATHEMATICAL EVALUATION OF THE ELECTROCHEMICAL DETERMINATION OF PARAQUAT, ON CONDUCTING POLYMER, MODIFIED BY VO2/ VO2+ OXIDATION PAIR

The possibility of paraquat electrochemical detection, realized by conducting polymer electrode, doped by vanadium dioxide, was analyzed by theoretical point of view. It was shown, that the conducting polymer composite with VO2 may serve as an excellent electrode modifier for paraquat electrochemical detection. The steady-state may be maintained stable in the vast parameter region. The possibility for electrochemical instabilities in this system has also been studied

MicroRNAs as a potential prognostic factor in gastric cancer

AIM: To compare the microRNA (miR) profiles in the primary tumor of patients with recurrent and non-recurrent gastric cancer