Diverse origin of mitochondrial lineages in Iron Age Black Sea Scythians.

Scythians were nomadic and semi-nomadic people that ruled the Eurasian steppe during much of the first millennium BCE. While having been extensively studied by archaeology, very little is known about their genetic identity. To fill this gap, we analyzed ancient mitochondrial DNA (mtDNA) from Scythians of the North Pontic Region (NPR) and successfully retrieved 19 whole mtDNA genomes.

Antiferromagnetic THz-frequency Josephson-like Oscillator Driven by Spin Current.

The development of compact and tunable room temperature sources of coherent THz-frequency signals would open a way for numerous new applications. The existing approaches to THz-frequency generation based on superconductor Josephson junctions (JJ), free electron lasers, and quantum cascades require cryogenic temperatures or/and complex setups, preventing the miniaturization and wide use of these devices. We demonstrate theoretically that a bi-layer of a heavy metal (Pt) and a bi-axial antiferromagnetic (AFM) dielectric (NiO) can be a source of a coherent THz signal.

Crystal structure of ()--[(anthracen-9-yl)methyl-idene]--phenyl-benzene-1,4-di-amine.

The title compound, CHN, a Schiff base synthesized a condensation reaction between anthracene-9-carbaldehyde and -phenyl--phenyl-enedi-amine, crystallizes with three independent mol-ecules in the asymmetric unit. The three mol-ecules have slightly varying overall conformations, all having conformations with respect to the C=N bond. In the crystal, the packing features N-H⋯N hydrogen bonds, which connect mol-ecules into chains extending along the -axis direction, inter-linked by C-H⋯π inter-actions (minimum H⋯ = 2.

Dynamics of Methylated Cytosine Flipping by UHRF1.

DNA methylation patterns, which are critical for gene expression, are replicated by DNA methyltransferase 1 (DNMT1) and ubiquitin-like containing PHD and RING finger domains 1 (UHRF1) proteins. This replication is initiated by the recognition of hemimethylated CpG sites and further flipping of methylated cytosines (mC) by the Set and Ring Associated (SRA) domain of UHRF1. Although crystallography has shed light on the mechanism of mC flipping by SRA, tools are required to monitor in real time how SRA reads DNA and flips the modified nucleobase.

The spectral properties of DNA and RNA macromolecules at low temperatures: fundamental and applied aspects.

This paper summarizes the results of studies of the spectral properties-optical absorption, fluorescence and phosphorescence-of DNA and RNA macromolecules and synthetic poly-, oligo- and mono-nucleotides, which have been carried out in our laboratory. The system of first excited singlet and triplet energy levels for DNA and RNA is evaluated using low-temperature (4.2 K-77 K) luminescent measurements.

Fullerene C Penetration into Leukemic Cells and Its Photoinduced Cytotoxic Effects.

Fullerene C as a representative of carbon nanocompounds is suggested to be promising agent for application in photodynamic therapy due to its unique physicochemical properties. The goal of this study was to estimate the accumulation of fullerene C in leukemic cells and to investigate its phototoxic effect on parental and resistant to cisplatin leukemic cells. Stable homogeneous water colloid solution of pristine C with average 50-nm diameter of nanoparticles was used in experiments.

Crystal structure of bis-(μ--hy-droxy-picolin-amid-ato)bis-[bis-(-hy-droxy-picolinamide)-sodium].

The title compound, [Na(CHNO)(CHNO)], is a centrosymmetric coordination dimer based on the sodium(I) salt of -hy-droxy-picolinamide. The mol-ecule has an {NaO(μ-O)} core with two bridging carbonyl O atoms and two hydroxamate O atoms of two mono-deprotonated residues of -hy-droxy-picolinamide, while two neutral -hy-droxy-picolinamide mol-ecules are coordinated in a monodentate manner to each sodium ion the carbonyl O atoms [the Na-O distances range from 2.3044 (2) to 2.

Influence of 300°C thermal conversion of Fe-Ce hydrous oxides prepared by hydrothermal precipitation on the adsorptive performance of five anions: Insights from EXAFS/XANES, XRD and FTIR (companion paper).

In this work, we report atomic-scale reconstruction processes in Fe-Ce oxide-based composites (hydrothermally precipitated at Fe-to-Ce dosage ratios of 1:0, 2:1, 1:1, 1:2, and 0:1), upon treatment at 300°C. The structural changes are correlated with the adsorptive removal of arsenate, phosphate, fluoride, bromide, and bromate. The presence of the carbonate-based Ce-component and surface sulfate in precursor samples creates favorable conditions for phase transformation, resulting in the formation of novel (unknown) layered compounds of Fe and Ce.

Beyond the Five and Six: Evaluation of Seven-Membered Cyclic Anhydrides in the Castagnoli-Cushman Reaction.

The Castagnoli-Cushman reaction with benzo[d]oxepine-2,4(1H,5H)-dione as an anhydride component allowed for preparation of 2,3-disubstituted 4-oxo-2,3,4,5-tetrahydro-1H-benzo[d]azepine-1-carboxylic acids in 21-75% yields and with good trans diastereoselectivity. The method worked with imines generated from aromatic or α-branched aliphatic aldehydes and is amenable for both parallel synthesis and scale-up. The procedure for epimerization of the resulting trans-disubstituted tetrahydrobenzo[d]azepines to their cis isomers was also developed.

Synthesis, alkaline phosphatase inhibition studies and molecular docking of novel derivatives of 4-quinolones.

New and convenient methods for the functionalization of the 4-quinolone scaffold at positions C-1, C-3 and C-6 were developed. The 4-quinolone derivatives were evaluated for their inhibitory potential on alkaline phosphatase isozymes. Most of the compounds exhibit excellent inhibitory activity and moderate selectivity.

Effect of Fe(II)/Ce(III) dosage ratio on the structure and anion adsorptive removal of hydrothermally precipitated composites: Insights from EXAFS/XANES, XRD and FTIR.

In this work, we present material chemistry in the hydrothermal synthesis of new complex structure materials based on various dosage ratios of Fe and Ce (1:0, 2:1, 1:1, 1:2, 0:1), characterize them by the relevant methods that allow characterization of both crystalline and amorphous phases and correlate their structure/surface properties with the adsorptive performance of the five toxic anions. The applied synthesis conditions resulted in the formation of different compounds of Fe and Ce components. The Fe-component was dominated by various phases of Fe hydrous oxides, whereas the Ce-component was composed of various phases of Ce carbonates.

Polymorphism in a Cobalt-Based Single-Ion Magnet Tuning Its Barrier to Magnetization Relaxation.

A large barrier to magnetization reversal, a signature of a good single-molecule magnet (SMM), strongly depends on the structural environment of a paramagnetic metal ion. In a crystalline state, where SMM properties are usually measured, this environment is influenced by crystal packing, which may be different for the same chemical compound, as in polymorphs. Here we show that polymorphism can dramatically change the magnetic behavior of an SMM even with a very rigid coordination geometry.

Wave-induced loss of ultra-relativistic electrons in the Van Allen radiation belts.

The dipole configuration of the Earth's magnetic field allows for the trapping of highly energetic particles, which form the radiation belts. Although significant advances have been made in understanding the acceleration mechanisms in the radiation belts, the loss processes remain poorly understood. Unique observations on 17 January 2013 provide detailed information throughout the belts on the energy spectrum and pitch angle (angle between the velocity of a particle and the magnetic field) distribution of electrons up to ultra-relativistic energies.

Virial and high-density expansions for the Lee-Yang lattice gas.

On the basis of the recently established "hole-particle" symmetry of the lattice-gas Hamiltonian, the high-density equation of state has been derived in a form of pressure and density expansions in powers of activity. This equation is proposed as an alternative and complementary to the previously obtained pressure expansion in powers of density. For the well-known Lee-Yang lattice-gas model (a two-dimensional square lattice with a square-well interaction potential), the power coefficients (i.

Expanding Synthesizable Space of Disubstituted 1,2,4-Oxadiazoles.

One-pot synthesis of 3,5-disubstituted 1,2,4-oxadiazoles from carboxylic acids and nitriles was optimized to parallel chemistry. The method was validated on a 141 member library; the desired products were recovered with a high success rate and in moderate yields. Practical application of the approach was demonstrated in the synthesis of bioactive compound pifexole and agonists of free fatty acid receptor 1.

Crystal structure of 5-[(4-carb-oxy-benz-yl)-oxy]isophthalic acid.

The mol-ecular shape of the title compound, C16H12O7, is bent around the central CH2-O bond. The two benzene rings are almost perpendicular to one another, making a dihedral angle of 87.78 (7)°.

A review of the genus Kiwaia Philpott, 1930 (Lepidoptera, Gelechiidae) in the Palaearctic Region.

Fourteen Kiwaia-species are recorded from the Palaearctic Region. Eight new species are described from China: Kiwaia (Empista) mengdana sp. n.

Crystal structure of fac-aquatricarbonyl[(S)-valin-ato-κ(2) N,O]-rhenium(I).

In the mol-ecule of the title compound, [Re(C5H10NO2)(CO)3(H2O)], the Re(I) atom adopts a distorted octa-hedral coordination sphere defined by one aqua and three carbonyl ligands as well as one amino N and one carboxyl-ate O atom of the chelating valinate anion. The carbonyl ligands are arranged in a fac-configuration around the Re(I) ion. In the crystal, an intricate hydrogen-bonding system under participation of two O-H, two N-H and one C-H donor groups and the carboxyl-ate and carbonyl O atoms as acceptor groups contribute to the formation of a three-dimensional supra-molecular network.

In Situ AFM Imaging of Microstructural Changes Associated with The Spin Transition in [Fe(Htrz)₂(Trz)](Bf₄) Nanoparticles.

Topographic images of [Fe(Htrz)₂(trz)](BF₄) nanoparticles were acquired across the first-order spin transition using variable-temperature atomic force microscopy (AFM) in amplitude modulation mode. These studies revealed a complex morphology of the particles consisting of aggregates of small nanocrystals, which expand, separate and re-aggregate due to the mechanical stress during the spin-state switching events. Both reversible (prompt or slow recovery) and irreversible effects (fatigue) on the particle morphology were evidenced and correlated with the spin crossover properties.

Unexpected Reactivity of Trifluoromethyl Diazomethane (CF3CHN2): Electrophilicity of the Terminal N-Atom.

After more than 70 years since its discovery, CF3CHN2 was found to possess a novel reactivity mode: N-terminal electrophile. With C-nucleophiles it gives hydrazones that are easily transformed into valuable CF3-heterocycles.

Tautomers of a Fluorescent G Surrogate and Their Distinct Photophysics Provide Additional Information Channels.

Thienoguanosine ((th) G) is an isomorphic nucleoside analogue acting as a faithful fluorescent substitute of G, with respectable quantum yield in oligonucleotides. Photophysical analysis of (th) G reveals the existence of two ground-state tautomers with significantly shifted absorption and emission wavelengths, and high quantum yield in buffer. Using (TD)-DFT calculations, the tautomers were identified as the H1 and H3 keto-amino tautomers.

Metal Azolate/Carboxylate Frameworks as Catalysts in Oxidative and C-C Coupling Reactions.

The five metal azolate/carboxylate (MAC) compounds [Cd(dmpzc)(DMF)(H2O)] (Cd-dmpzc), [Pd(H2dmpzc)2Cl2] (Pd-dmpzc), [Cu(Hdmpzc)2] (Cu-dmpzc), [Zn4O(dmpzc)3]·Solv (Zn-dmpzc·S), and [Co4O(dmpzc)3]·Solv (Co-dmpzc·S) were isolated by coupling 3,5-dimethyl-1H-pyrazol-4-carboxylic acid (H2dmpzc) to cadmium(II), palladium(II), copper(II), zinc(II), and cobalt(II) salts. While Cd-dmpzc and Pd-dmpzc had never been prepared in the past, for Cu-dmpzc, Zn-dmpzc·S, and Co-dmpzc·S we optimized alternative synthetic paths that, in the case of the copper(II) and cobalt(II) derivatives, are faster and grant higher yields than the previously reported ones. The crystal structure details were determined ab initio (Cd-dmpzc and Pd-dmpzc) or refined (Cu-dmpzc, Zn-dmpzc·S, and Co-dmpzc·S) by means of powder X-ray diffraction (PXRD).

The First Space-Related Study of a Kombucha Multimicrobial Cellulose-Forming Community: Preparatory Laboratory Experiments.

Biofilm-forming microbial communities are known as the most robust assemblages that can survive in harsh environments. Biofilm-associated microorganisms display greatly increased resistance to physical and chemical adverse conditions, and they are expected to be the first form of life on Earth or anywhere else. Biological molecules synthesized by biofilm -protected microbiomes may serve as markers of the nucleoprotein life.

Occlusal pattern of cheek teeth in extant Spermophilus: A new approach to the identification of species.

Discrete characters of the occlusal surface (additional cusps) have been studied to elaborate a new approach to the identification of the Ground Squirrel species Spermophilus odessanus, S. suslicus, S. pygmaeus, S.

Crystal structure of N-hy-droxy-picolinamide monohydrate.

The crystal structure of the title compound, C6H6N2O2·H2O, consists of N-hy-droxy-picolinamide and water mol-ecules connected through O-H⋯O and N-H⋯N hydrogen bonds. The O-H⋯O inter-actions and π-π stacking inter-actions between the pyridine rings [centroid-centroid distance = 3.427 (1) Å] organize the components into columns extending along the b axis and the N-H⋯N hydrogen bonds link these columns into a two-dimensional framework parallel to (100).