Effectiveness of anti-tuberculosis chemotherapy in patients with tuberculosis relapse compared with newly diagnosed patients.

Background: To study the effectiveness of antituberculosis chemotherapy in patients with relapse pulmonary tuberculosis (RTB) compared with patients with the newly diagnosed process.

Methods: We examined 285 TB patients, including 126 individuals with RTB (Group 1) and 159 patients with newly diagnosed pulmonary tuberculosis (NDPTB) (Group 2). All patients were diagnosed with infiltrative PTB.

JUVENILE IDIOPATHIC ARTHRITIS AND VITAMIN D STATUS IN UKRAINIAN PATIENTS.

Plenty of studies demonstrated an association between a Vitamin D deficiency and several autoimmune disorders, such as diabetes mellitus, systemic lupus erythematosus (SLE), and rheumatoid arthritis (RA) in adult patients. This study was aimed to assess probable association between the 25-hydroxyvitamin D [25(OH)D] level and juvenile idiopathic arthritis (JIA) features and the possible relationship between serum vitamin D level and disease activity. 69 patients with JIA were examined and 15 healthy children were chosen as the control group.

Polymorphism of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)- and 3-[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]-2H-chromen-2-ones.

This study of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-2H-chromen-2-one, CHNO, 1, and 3-[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]-2H-chromen-2-one, CHNO, 2, was performed on the assumption of the potential anticancer activity of the compounds. Three polymorphic structures for 1 and two polymorphic structures for 2 have been studied thoroughly. The strongest intermolecular interaction is stacking of the `head-to-head' type in all the studied crystals.

Adsorption behavior of β-cyclodextrin onto gold nanoparticles.

Native and modified cyclodextrins (CDs) are routinely used as a capping agent upon the preparation of gold nanoparticles (AuNP); however, their role in the synthesis remains unresolved. Here, the adsorption behavior of β-cyclodextrin (β-CD) onto AuNP was studied by all-atom molecular dynamics (MD) simulations. We found that β-CD binding onto the AuNP surface occurs through multiple non-covalent interactions, among which non-covalent binding of the aliphatic carbon moieties and the hydroxyl oxygen atoms plays a vital role.

Structures and Spectral and Magnetic Properties of a Series of Carbacylamidophosphate Pentanuclear Lanthanide(III) Hydroxo Complexes.

A series of pentanuclear lanthanide complexes LnL(μ-L)(μ-OH)(μ-OH) (Ln = Nd, Dy, Ho, Er, Yb; L = dimethyl -benzoylamidophosphate ion, [CHC(O)-N-P(O)(OCH)]) was obtained by the reaction of sodium dimethyl -benzoylamidophosphate with the corresponding lanthanide nitrates. The pentanuclear cores formed as a result of self-arrangement and their composition did not depend on the lanthanide ion. The complexes and sodium dimethyl -benzoylamidophosphate have been characterized by single-crystal X-ray diffraction.

Phenomenon of self-destructive behavior in female sex workers: discriptors, predictors, typology, psychological correction.

Objective: Introduction: Engaging in sex, which is obligatory associated with the extraordinary risks of harm to their own safety and physical health, can be considered as one of the variants of self-destruction. The aim is to analyze the leading descriptors and predictors of self-destructive behavior among female sex workers, on the basis of which to propose measures for their psycho-correction.

Patients And Methods: Materials and methods: The main group of the study was 135 women - female sex workers, a comparative group of 50 women who had no relation to such activities.

Record of the Emerald Ash Borer () in Ukraine is Confirmed.

(Coleoptera: Buprestidae) is a devastating invasive pest of ash trees. This wood-boring insect is native to Asia and established in European Russia about 20 years ago. It severely damages plantations and quickly spreads.

Location of TEMPO-PC in Lipid Bilayers: Implications for Fluorescence Quenching.

The characterization of the behavior of lipid-attached spin probes in a bilayer is of fundamental importance for correct interpretation of the results of both EPR and fluorescence studies of protein-membrane interactions. The knowledge of the immersion depth of TEMPO spin probe attached to lipid headgroup in TEMPO-PC is critical for the determination of the transverse location of fluorescence probes attached to proteins and peptides. The question of bilayer penetration of TEMPO moiety in TEMPO-PC has recently came into prominence in two studies of interfacial solvation (Cheng et al.

Fifteen shades of green: The evolution of Bufotes toads revisited.

The radiation of Palearctic green toads (Bufotes) holds great potential to evaluate the role of hybridization in phylogeography at multiple stages along the speciation continuum. With fifteen species representing three ploidy levels, this model system is particularly attractive to examine the causes and consequences of allopolyploidization, a prevalent yet enigmatic pathway towards hybrid speciation. Despite substantial efforts, the evolutionary history of this species complex remains largely blurred by the lack of consistency among the corresponding literature.

Mol-ecular and crystal structure of 5,9-dimethyl-5-pyrano[3,2-:5,6-']bis-[2,1-benzo-thia-zin]-7(9)-one 6,6,8,8-tetroxide di-methyl-formamide monosolvate.

The title mol-ecule crystallizes as a di-methyl-formamide monosolvate, CHNOS·CHNO. The mol-ecule was expected to adopt mirror symmetry but slightly different conformational characteristics of the condensed benzo-thia-zine ring lead to point group symmetry 1. In the crystal, mol-ecules form two types of stacking dimers with distances of 3.

Shifts in the Genetic Landscape of the Western Eurasian Steppe Associated with the Beginning and End of the Scythian Dominance.

The Early Iron Age nomadic Scythians have been described as a confederation of tribes of different origins, based on ancient DNA evidence [1-3]. It is still unclear how much of the Scythian dominance in the Eurasian Steppe was due to movements of people and how much reflected cultural diffusion and elite dominance. We present new whole-genome sequences of 31 ancient Western and Eastern Steppe individuals, including Scythians as well as samples pre- and postdating them, allowing us to set the Scythians in a temporal context (in the Western, i.

Synthesis, in vivo and in silico anticonvulsant activity studies of new derivatives of 2-(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)acetamide.

In order to expand the arsenal of biologically active substances of anticonvulsive action by the interaction of 2-(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)acetic acid with the corresponding amines in the presence of N,N'-carbonyldiimidazole in the dioxane medium, a systematic series of 2-(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-N-R-acetamides was obtained. A novel approach to synthesis of the key intermediate - 2-(2,4-dioxo-1,4-dihydro-quinazolin-3(2H)-yl)acetic acid was developed. The structure and purity of the resulting substances was confirmed by elemental analysis, H NMR, C NMR spectroscopy and LC/MS.

Doebner-type pyrazolopyridine carboxylic acids in an Ugi four-component reaction.

Substituted 1-pyrazolo[3,4-]pyridine-4- and 1-pyrazolo[3,4-]pyridine-6-carboxamides have been synthetized through a Doebner-Ugi multicomponent reaction sequence in a convergent and versatile manner using diversity generation strategies: combination of two multicomponent reactions and conditions-based divergence strategy. The target products contain as pharmacophores pyrazolopyridine and peptidomimetic moieties with four points of diversity introduced from readily available starting materials including scaffold diversity. A small focused compound library of 23 Ugi products was created and screened for antibacterial activity.

Logic gates on stationary dissipative solitons.

Stable dissipative solitons are perfect carries of optical information due to remarkable stability of their waveforms that allows the signal transmission with extremely dense soliton packing without losing the encoded information. Apart from unaffected passing of solitons through a communication network, controllable transformations of soliton waveforms are needed to perform all-optical information processing. In this paper we employ the basic model of dissipative optical solitons in the form of the complex Ginzburg-Landau equation with a potential term to study the interactions between two stationary dissipative solitons under the control influences and use those interactions to implement various logic gates.

Distance Angle Descriptors of the Interionic and Ion-Solvent Interactions in Imidazolium-Based Ionic Liquid Mixtures with Aprotic Solvents: A Molecular Dynamics Simulation Study.

The aim of this paper is to quantify the changes of the interionic and ion-solvent interactions in mixtures of imidazolium-based ionic liquids, having tetrafluoroborate (BmimBF), hexafluorophosphate (BmimPF), trifluoromethylsulfonate (BmimTFO), or bis(trifluoromethanesulfonyl)imide (BmimTFSI), anions, and polar aprotic molecular solvents, such as acetonitrile (AN), γ-butyrolactone (GBL), and propylene carbonate (PC). For this purpose, we calculate, using the nearest-neighbor approach, the average distance between the imidazolium ring H atom in positions 2, 4, and 5 (H) and the nearest high-electronegativity atom of the solvent or anion (X) as distance descriptors, and the mean angle formed by the C-H bond and the H···X axis around the H atom as angular descriptors of the cation-anion and cation-solvent interactions around the ring C-H groups. The behavior of these descriptors as a function of the ionic liquid mole fraction is analyzed in detail.

Falsification of medical products: criminal law mechanism combating threats to public health.

Objective: Introduction: Every civilized state has the duty to its citizens to create an effective health care system, a necessary component of which is the use of safe and high-quality medical products. This duty is based both on the standards of international law and national constitutional norms and principles. The spread of falsified medical products poses a global threat to public health, can lead to death or cause significant harm to human health.

Three polymorphs of 3-(3-phenyl-1H-1,2,4-triazol-5-yl)-2H-1-benzopyran-2-one formed from different solvents.

The polymorphic study of 3-(3-phenyl-1H-1,2,4-triazol-5-yl)-2H-1-benzopyran-2-one, CHNO, was performed due to its potential biological activity and revealed three polymorphic modifications in the triclinic space group P-1, the monoclinic space group P2 and the orthorhombic space group Pbca. These polymorphs have a one-column layered type of crystal organization. The strongest interactions between the molecules of the studied structures is stacking between π-systems, while N-H.

MS2 bacteriophage capsid studied using all-atom molecular dynamics.

The all-atom model of an MS2 bacteriophage particle without its genome (the capsid) was built using high-resolution cryo-electron microscopy (EM) measurements for initial conformation. The structural characteristics of the capsid and the dynamics of the surrounding solution were examined using molecular dynamics simulation. The model demonstrates the overall preservation of the cryo-EM structure of the capsid at physiological conditions (room temperature and ions composition).

The genetic history of admixture across inner Eurasia.

The indigenous populations of inner Eurasia-a huge geographic region covering the central Eurasian steppe and the northern Eurasian taiga and tundra-harbour tremendous diversity in their genes, cultures and languages. In this study, we report novel genome-wide data for 763 individuals from Armenia, Georgia, Kazakhstan, Moldova, Mongolia, Russia, Tajikistan, Ukraine and Uzbekistan. We furthermore report additional damage-reduced genome-wide data of two previously published individuals from the Eneolithic Botai culture in Kazakhstan (~5,400 BP).

Atomistic molecular dynamics simulations of the LCST conformational transition in poly(N-vinylcaprolactam) in water.

Thermoresponsive poly(N-vinylcaprolactam) (PVCL) has received growing interest due to a temperature-induced phase transition, which switches its solubility in aqueous solutions. However, the lower critical solution temperature (LCST) of PVCL is greatly influenced by the molecular weight, morphology and the environment. Therefore, despite of numerous experimental studies of the thermal response of PVCL, a driving force and a molecular origin of conformation transitions in solution remain far less studied.

The gapless energy spectrum and spin-Peierls instability of 1D Heisenberg spin systems in polymeric complexes of transition metals and hypothetical carbon allotropes.

We investigate the spin-Peierls instability of some periodic 1D Heisenberg spin systems having a gapless energy spectrum at different values of coupling J between the unit cells. Using the density-matrix renormalization group method we numerically study the dependence of critical exponents p  of spin-Peierls transition of above spin systems on the value of J. In contrast to chain systems, we find significantly non-monotonous dependence p (J) for three-legs ladder system.

Outcome evaluation of a "common factors" approach to develop culturally tailored HIV prevention interventions for people who inject drugs.

Background: Current models of HIV prevention intervention dissemination involve packaging interventions developed in one context and training providers to implement that specific intervention with fidelity. Providers rarely implement these programs with fidelity due to perceived incompatibility, resource constraints, and preference for locally-generated solutions. Moreover, such interventions may not reflect local drug markets and drug use practices that contribute to HIV risk.

On the use of acridinium indicators for the chemiluminescent determination of the total antioxidant capacity of dietary supplements.

Acridinium salts, due to their chemiluminogenic properties, have found several applications in biomedical analysis as labels and indicators, where the assessment of emission intensity is used for the end-point detection. This work presents the use of chemiluminescent indicators in the form of selected acridinium esters in order to determine the antioxidant properties of exemplary formulations, namely quercetin, vitamin C and the dietary supplement, Apiextract. The principle of measurements is based on a change in the kinetics of emission decay derived from the acridinium cations in alkaline solutions of hydrogen peroxide in the presence of an antioxidant (the analyte).