Exploring α-synuclein stability under the external electrostatic field: Effect of repeat unit.

Parkinson's disease (PD) is a category of neurodegenerative disorders (ND) that currently lack comprehensive and definitive treatment strategies. The etiology of PD can be attributed to the presence and aggregation of a protein known as α-synuclein. Researchers have observed that the application of an external electrostatic field holds the potential to induce the separation of the fibrous structures into peptides.

Escin's Multifaceted Therapeutic Profile in Treatment and Post-Treatment of Various Cancers: A Comprehensive Review.

Although modern medicine is advancing at an unprecedented rate, basic challenges in cancer treatment and drug resistance remain. Exploiting natural-product-based drugs is a strategy that has been proven over time to provide diverse and efficient approaches in patient care during treatment and post-treatment periods of various diseases, including cancer. Escin-a plant-derived triterpenoid saponin-is one example of natural products with a broad therapeutic scope.

Aerogel-Based Single-Ion Magnets: A Case Study of a Cobalt(II) Complex Immobilized in Silica.

The chemical immobilization of cobalt(II) ions in a silica aerogel matrix enabled the synthesis of the first representative example of aerogel-based single-ion magnets. For the synthesis of the lyogels, methyl-trimethoxysilane and N-3-(trimethoxysilyl)propyl ethylenediamine were co-hydrolyzed, then the ethylenediamine groups that were immobilized on the silica matrix enabled the subsequent binding of cobalt(II) ions. Lyogels with various amounts of ethylenediamine moieties (0.

Toward size-dependent thermodynamics of nanoparticles from quantum chemical calculations of small atomic clusters: a case study of (BO).

We present a method for obtaining canonical partition functions and, accordingly, temperature-dependent thermodynamics of arbitrary-sized (nano) particles from electronic structure calculations of the corresponding small size atomic clusters. The guiding idea here is to extrapolate the basic properties underlying the thermochemistry of clusters (electronic energies, rotational constants, and vibrational frequencies) rather than the thermodynamic functions themselves. The thus obtained scaling dependences for these basic properties expressed in a simple analytical form provide an efficient tool for fast evaluation of the size-selected thermochemical data for particles of any nuclearity.

Plasma Electrolytic Oxidation of Zr-1%Nb Alloy: Effect of Sodium Silicate and Boric Acid Addition to Calcium Acetate-Based Electrolyte.

This work aimed at the development of wear and corrosion resistant oxide coatings for medical implants made of zirconium alloy, by plasma electrolytic oxidation (PEO). The effect of sodium silicate and boric acid addition to calcium acetate electrolyte on the coating properties was studied. Different aspects of the PEO coating were investigated: microstructure, electrochemical and wear behavior, wettability and apatite-forming ability.

Investigation of Biocompatible PEO Coating Growth on cp-Ti with In Situ Spectroscopic Methods.

The problem of the optimization of properties for biocompatible coatings as functional materials requires in-depth understanding of the coating formation processes; this allows for precise manufacturing of new generation implantable devices. Plasma electrolytic oxidation (PEO) opens the possibility for the design of biomimetic surfaces for better biocompatibility of titanium materials. The pulsed bipolar PEO process of cp-Ti under voltage control was investigated using joint analysis of the surface characterization and by in situ methods of impedance spectroscopy and optical emission spectroscopy.

Reaction of the N Atom with Electronically Excited O Revisited: A Theoretical Study.

The kinetics of the reaction of N with electronically excited O (singlet aΔ and bΣ states), potentially relevant for NO formation in nonthermal air plasma, is theoretically studied using the multireference second-order perturbation theory. The corresponding thermodynamically and kinetically favored reaction pathways together with possible intersystem crossings are identified. It has been revealed that the energy barrier for the N + O(aΔ) → NO + O reaction is approximately twice the barrier height for the counterpart process with O(Σ).

Hypoglycemic and Anti-Inflammatory Effects of Triterpene Glycoside Fractions from Seeds.

Horse chestnut ( L.)-derived drugs have shown their potential in biomedical applications. The seed of contains various kinds of chemical compounds including phenolics, flavonoids, coumarins, and triterpene saponins.

Development of an Improved Method for the Determination of Iodine/β-Cyclodextrin by Means of HPLC-UV: Validation and the Thyroid-Stimulating Activity Revealed by In Vivo Studies.

Iodine, being an intrinsic part of thyroid hormones, is a vital microelement required for normal growth and development, particularly in children. Inadequate daily intake of iodine causes iodine deficiency, which is responsible for several health disorders, such as cretinism and goiters. Therefore, the development of new drugs and/or food supplements for iodine deficiency is crucial.

Molecular Collision Diameters and Electronic Polarizabilities: Inherent Relationship and Fast Evaluation.

The collision diameter σ for a large set of molecular species is related to the static electronic polarizability α. A remarkable correlation between these quantities conceptually similar to the analogous one previously identified for atoms is revealed. Our recommended model is the function σ(α) = + α, where = 0.

Authoritative subspecies diagnosis tool for European honey bees based on ancestry informative SNPs.

Background: With numerous endemic subspecies representing four of its five evolutionary lineages, Europe holds a large fraction of Apis mellifera genetic diversity. This diversity and the natural distribution range have been altered by anthropogenic factors. The conservation of this natural heritage relies on the availability of accurate tools for subspecies diagnosis.

A novel approach for knee osteoarthritis using high molecular weight hyaluronic acid conjugated to plasma fibrinogen - interim findings of a double-blind clinical study.

Objective: Osteoarthritis (OA) is a widespread degenerative joint disease leading to progressive loss of function and pain. Available treatments do not provide long-term relief or improvement. This study aimed to assess the safety and efficacy of a novel intra articular supplement, made of high molecular-weight hyaluronic acid (HA) uniquely conjugated to either purified (RegenoGel) or autologous plasma-derived fibrinogen (RegenoGel-OSP), as a long-term treatment for knee OA.

Reaction of H with O in Excited Electronic States: Reaction Pathways and Rate Constants.

Comprehensive quantum chemical analysis with the use of the multireference state-averaged complete active space self-consistent field approach was carried out to study the reactions of H with O in aΔ, bΣ, cΣ, and A'Δ electronically excited states. The energetically favorable reaction pathways and possible intersystem crossings have been revealed. The energy barriers were refined employing the extended multiconfiguration quasi-degenerate second-order perturbation theory.

Elimination of Plasmodium falciparum malaria in Tajikistan.

Malaria was eliminated in Tajikistan by the beginning of the 1960s. However, sporadic introduced cases of malaria occurred subsequently probably as a result of transmission from infected mosquito Anopheles flying over river the Punj from the border areas of Afghanistan. During the 1970s and 1980s local outbreaks of malaria were reported in the southern districts bordering Afghanistan.

[(THE IMPACT OF MIGRATION PROCESSES ON- BIOSAFETY AND HUMAN HEALTH)].

Infectious diseases are one of the serious threats to biosafety in modern society In recent years, there have been con- siderably increased international migrations: tourism and pilgrimage; labor migration flows; migration of refugees and settlers in times of armed conflicts, household migrations because of family ties and traditions. Since the number of Rus- sian tourists and migrants from endemic countries remains high, these contingents should receive special attention in the malaria epidemiological surveillance system. The paper discusses the risks of possible consequences of population migra- tions and prevention measures.

INVESTIGATION OF VISCERAL LEISHMANIASIS FOCI IN THE DARVAZ AND PENJIKENT DISTRICTS OF TAJIKISTAN: SEROEPIDEMIOLOGICAL AND SEROEPIZOOTOLOGICAL STUDIES.

A total of 1963 dwellers and 779 dogs from the Penjikent and Darvz districts of the Republic of Tajikistan were examined for antibodies to the pathogen of visceral leishmaniasis (VL), by using the rk39 rapid diagnostic test. Mainly children less than14 years and persons over 14 years of age with signs of VL were selected as an examined contingent. There were 35 and 9 persons who were found to have antibodies to the VL pathogen among the examinees in the Penjikent and Darvaz districts, respectively The examination of infants during the first years of life, whose immune system can be defenseless against leishmaniasis, yielded the largest number (more than 90%) of positive results.

SOFI Simulation Tool: A Software Package for Simulating and Testing Super-Resolution Optical Fluctuation Imaging.

Super-resolution optical fluctuation imaging (SOFI) allows one to perform sub-diffraction fluorescence microscopy of living cells. By analyzing the acquired image sequence with an advanced correlation method, i.e.

Theoretical Study of the Reactions of Methane and Ethane with Electronically Excited N2(A(3)Σu(+)).

Comprehensive quantum chemical analysis with the usage of density functional theory and post-Hartree-Fock approaches were carried out to study the processes in the N2(A(3)Σu(+)) + CH4 and N2(A(3)Σu(+)) + C2H6 systems. The energetically favorable reaction pathways have been revealed on the basis of the examination of potential energy surfaces. It has been shown that the reactions N2(A(3)Σu(+)) + CH4 and N2(A(3)Σu(+)) + C2H6 occur with very small or even zero activation barriers and, primarily, lead to the formation of N2H + CH3 and N2H + C2H5 products, respectively.

Physics and chemistry of the influence of excited molecules on combustion enhancement.

The paper addresses detailed analysis of kinetic processes in the H(2)-O(2), CO-O(2) and CH(4)-O(2)-reactive systems upon the presence of singlet oxygen molecules O(2)(a(1)Δg) and [Formula: see text] and the influence of the activation of oxygen molecules in electric discharge on the acceleration of ignition in the H(2)-O(2) and CH(4)-O(2) mixtures. The possibility of the intensification of CO oxidation due to excitation of O(2) and N(2) molecule vibrations and generation of singlet oxygen molecules is also considered. It is shown that the effect of accelerating the ignition strongly depends on the reduced electric field and, as a consequence, on the composition of discharge plasma as well as on the features of chain mechanism development in oxy-fuel systems.

Theoretical study of the reactions of ethanol with aluminum and aluminum oxide.

Quantum chemical calculations with the use of B2PLYP method were carried out to study the reactions of Al and AlO with the C2H5OH molecule. The values of energy barriers were estimated by means of extrapolation to the basis set limit. Examination of the potential energy surface revealed the energetically favorable reaction pathways.

Physical and thermodynamic properties of Al(n)C(m) clusters: quantum-chemical study.

Geometrical structures and physical properties, such as rotational constants and characteristic vibrational temperatures, collision diameter, enthalpy of formation, dipole moment, static isotropic polarizability, and magnetic moment of different forms of Al(n)C(m) clusters with n = 0-5, m = 0-5, have been studied with the usage of density functional theory. Different forms of clusters with the electronic energy up to 5 eV have been identified by using the original multistep heuristic algorithm based on semiempirical calculations and density functional theory. Temperature dependencies of thermodynamic properties such as enthalpy, entropy, and specific heat capacity were calculated for both the individual isomers and the Boltzmann ensembles of each class of clusters.