Calcium Modulating Effect of Polycyclic Cages: A Suitable Therapeutic Approach Against Excitotoxic-induced Neurodegeneration.

Neurodegenerative disorders pose a significant challenge to global healthcare systems due to their progressive nature and the resulting loss of neuronal cells and functions. Excitotoxicity, characterized by calcium overload, plays a critical role in the pathophysiology of these disorders. In this review article, we explore the involvement of calcium dysregulation in neurodegeneration and neurodegenerative disorders.

Hylleraas' variational method with orthogonality restrictions.

In this paper, we suggest a new computational technique for the minimization of Hylleraas' functional with additional orthogonality restrictions imposed on the desired vectors. It is shown how Hylleraas' constrained problem can be reduced to an unconstrained one by minimal computational efforts. The asymptotic projection (AP) method proposed earlier to minimize Rayleigh's quotient subject to some orthogonality restrictions is applied to construct a modified Hylleraas' functional whose solution fulfills the required constraints automatically.

QSPR modeling of optical rotation of amino acids using specific quantum chemical descriptors.

Many chemical phenomena occur in solution. Different solvents can change the optical activity of chiral molecules. The optical rotation angles of solutes of 75 amino acids in dimethylformamide, water and methanol were analyzed using the quantitative structure-activity relationships approach.

Predictors of aging based on the analysis of heart rate variability.

Background: The current significant progress in the use of heart rate variability in the solution of many diagnostic and therapeutic problems is determined by the availability of standardized methods of measurement and physiological interpretation of heart rate variability indices on the one hand and the high technological level of state-of-the-art electronic measuring equipment that is used for automatic registration and computer processing of cardio-signals.

Methods: A retrospective analysis of anonymized cardio screening results of 22,433 adult residents of 565 settlements (cities and villages) across all 20 administrative districts of the Khmelnytskyi Region (Ukraine) was conducted to find a statistically significant connection between individual heart rate variability parameters and the age of people.

Results: Primary statistical analysis and visualization showed a correlation between the selected heart rate variability parameters and the age and sex of the examined persons.

The Effect of Contact Non-equilibrium Plasma on Structural and Magnetic Properties of Mn Fe О Spinels.

Nano-sized manganese ferrites Mn Fe О (х = 0-1.3) were prepared using contact non-equilibrium plasma (CNP) in two different pH (11.5 and 12.

Crystal structure of 5-chloro--(5-phenyl-1-pyrazol-3-yl)benzene-1,2-di-amine.

The title compound, CHClN, crystallizes with two independent mol-ecules ( and ) in the asymmetric unit, which are far from planar as a result of steric repulsion between the rings. The benzene and phenyl rings are inclined to the central pyrazole ring by 46.64 (10) and 17.

UV-vis spectroscopy and colorimetric models for detecting anthocyanin-metal complexes in plants: An overview of in vitro and in vivo techniques.

Although anthocyanin (ACN) biosynthesis is one of the best studied pathways of secondary metabolism in plants, the possible physiological and ecological role(s) of these pigments continue to intrigue scientists. Like other dihydroxy B-ring substituted flavonoids, ACNs have an ability to bind metal and metalloid ions, a property that has been exploited for a variety of purposes. For example, the metal binding ability may be used to stabilize ACNs from plant food sources, or to modify their colors for using them as food colorants.

A quantum chemical based toxicity study of estimated reduction potential and hydrophobicity in series of nitroaromatic compounds.

Nitroaromatic compounds and the products of their degradation are toxic to bacteria, cells and animals. Various studies have been carried out to better understand the mechanism of toxicity of aromatic nitrocompounds and their relationship to humans and the environment. Recent data relate cytotoxicity of nitroaromatic compounds to their single- or two-electron enzymatic reduction.

Testing breast cancer serum biomarkers for early detection and prognosis in pre-diagnosis samples.

Background: Breast cancer is a leading cause of morbidity and mortality worldwide. Although mammography screening is available, there is an ongoing interest in improved early detection and prognosis. Herein, we have analysed a combination of serological biomarkers in a case-control cohort of sera taken before diagnosis.

In silico kinetics of alkaline hydrolysis of 1,3,5-trinitro-1,3,5-triazinane (RDX): M06-2X investigation.

Alkaline hydrolysis of RDX (hexahydro-1,3,5-trinitro-1,3,5-triazine), as one of the most promising methods for nitrocompound remediation, was investigated computationally at the PCM(Pauling)/M06-2X/6-311++G(d,p) level of theory. Computational simulation shows that RDX hydrolysis is a highly exothermic multistep process involving initial deprotonation and nitrite elimination, cycle cleavage, further transformation of cycle-opened intermediates to end products caused by a series of C-N bond ruptures, hydroxide attachments, and proton transfers. Computationally predicted products of RDX hydrolysis such as nitrite, nitrous oxide, formaldehyde, formate, and ammonia correspond to experimentally observed ones.

Origin of Substituent Effect on Tautomeric Behavior of 1,2,4-Triazole Derivatives: Combined Spectroscopic and Theoretical Study.

The reaction of 2-aryl-[1,2,4]triazolo[1,5-c]quinazolines with nucleophilic reagents (hydrazine hydrate, sodium hydroxide, sodium methoxide, hydrochloric acid) under acidic conditions leads to formation of compounds that tend to tautomerize. The products of the transformation are distinguished by the position (ortho-, meta-, para-) of the OCH group in the aryl moiety. To assign their structures we used the combined approach: experiment and theoretical modeling.

Using an Optical Probe as the Microdrop Holder in Headspace Single Drop Microextraction: Determination of Sulfite in Food Samples.

A novel headspace single-drop microextraction method (HS-SDME) for determination of sulfite in the form of sulfur dioxide was developed. An optical probe was used as the droplet holder in the HS-SDME procedure, and the analytical signal (absorbance) was monitored online during the extraction process. The method is based on the conversion of sulfite to volatile sulfur dioxide by acidification of the analyzed solution.

A novel vortex-assisted liquid-liquid microextraction approach using auxiliary solvent: Determination of iodide in mineral water samples.

A novel vortex-assisted liquid-liquid microextraction (VA-LLME) for determination of iodide was developed. The method includes the oxidation of iodide with iodate in the presence of hydrochloric acid followed by VA-LLME of the ion-pair formed between ICl2(-) and Astra Phloxine reagent (AP) and subsequent absorbance measurement at 555nm. The appropriate experimental conditions were investigated and found to be: 5mL of sample, 0.

Optimal Placement of Irradiation Sources in the Planning of Radiotherapy: Mathematical Models and Methods of Solving.

This paper proposes and analyses a mathematical model for the problem of distribution of a finite number of irradiation sources during radiotherapy in continuous environments to maximize the minimal cumulative effects. A new algorithm based on nondifferentiable optimization techniques has been developed to solve this problem.

Trophic relations of Opatrumsabulosum (Coleoptera, Tenebrionidae) with leaves of cultivated and uncultivated species of herbaceous plants under laboratory conditions.

We carried out a quantitative assessment of the consumption of herbaceous plants by Opatrumsabulosum (Linnaeus, 1761) - a highly significant agricultural pest species. We researched the feeding preferences of this pest species with respect to 33 uncultivated and 22 cultivated plant species. This species of darkling beetle feeds on many uncultivated plant species, including those with hairy leaves and bitter milky sap, such as Scabiosaucrainca (5.

Potentiometric propranolol-selective sensor based on molecularly imprinted polymer.

A novel potentiometric sensor based on molecularly imprinted polymer (MIP) for propranolol, an adrenergic-blocking drug, was designed. The influence of molecularly imprinted polymer particle content and sodium tetraphenylborate additives in polyvinylchloride membrane was shown. The electrodes show near-Nernstian responses down to 10(-4)-10(-5) M propranolol concentration.