Hengzongshu/ArticleAgent huggingface dataset:
The involvement of chromosome changes in the initial steps of speciation is controversial. Here we examine diversification trends within the mole voles Ellobius, a group of subterranean rodents. The first description of their chromosome variability was published almost 40 years ago. Studying the G-band structure of chromosomes in numerous individuals revealed subsequent homologous, step-by-step, Robertsonian translocations, which changed diploid numbers from 54 to 30.

Here we used a molecular cytogenetic strategy which demonstrates that chromosomal translocations are not always homologous; consequently, karyotypes with the same diploid number can carry different combinations of metacentrics. We further showed that at least three chromosomal forms with 2n = 34 and distinct metacentrics inhabit the Pamir-Alay mountains. Each of these forms independently hybridized with E. tancrei, 2n = 54, forming separate hybrid zones. The chromosomal variations correlate slightly with geographic barriers. Additionally, we confirmed that the emergence of partial or monobrachial homology appeared to be a strong barrier for hybridization in nature, in contradistinction to experiments which we reported earlier.

We discuss the possibility of whole arm reciprocal translocations for mole voles. Our findings suggest that chromosomal translocations lead to diversification and speciation.
Due to the lack of knowledge about the data structure and the presence of random noise, the considered data model is uncertain.

We propose a method which combines graph Laplacian regularization and cluster ensemble methodologies. The co-association matrix of the ensemble is calculated on both labeled and unlabeled data; this matrix is used as a similarity matrix in the regularization framework to derive the predicted outputs. We use the low-rank decomposition of the co-association matrix to significantly speedup calculations and reduce memory.

Numerical experiments using the Monte Carlo approach demonstrate robustness, efficiency, and scalability of the proposed method.
Invasive earthworms often have huge ecological impact, especially when they colonize previously earthworm-free zones. Kamchatka is a remote and weakly populated region whose invertebrate fauna is insufficiently studied. We investigated earthworm diversity in several natural and anthropogenic habitats of Kamchatka by morphological analysis and barcoding using the mitochondrial cox1 gene. We added four new species (Dendrobaena octaedra, Dendrobaena attemsi, Lumbricus rubellus, and Aporrectodea caliginosa) and one subspecies (Dendrodrilus rubidus subrubicundus) to the four earthworm species known previously from this region. Moreover, this is the first report of Dendrobaena attemsi in Asia. We found one mtDNA haplotype for each Eisenia fetida, Dendrodrilus rubidus subrubicundus, and Dendrodrilus rubidus tenuis; two significantly diverged haplotypes for Dendrobaena octaedra and A. caliginosa; and three for L. rubellus. In addition, cox1 sequences of Eisenia nordenskioldi nordenskioldi, the only earthworm species that could be of native origin, were identical to those of Eisenia nordenskioldi pallida from Khakassia and Tuva. Molecular genetic analysis demonstrated that all earthworms found by us are of invasive origin, and for some of them, there were most probably several independent introduction events. This turned out to be true even for E. nordenskioldi, the species that was earlier considered to be native to this region. Our results suggest it might be possible that the whole earthworm fauna of Kamchatka is of invasive origin, which makes it a good model for studying the effects of earthworm invasions into previously earthworm-free regions.
The aim of the present study is to simulate healthy and pathological human bronchial trees. Analytical formulas are derived for constructing an individual bifurcation of a bronchus and the entire bronchial tree with allowance for the deviation of the inner surfaces of the bronchi from a cylindrical shape. All surfaces of the bronchial tree are matched with the second-order smoothness (there are no acute angles or ribs). The geometric characteristics of the bronchial tree and the "starry" shape of the inner structure are defined parametrically.
There is evidence that central aortic blood pressure (BP) is more associated with left ventricular myocardial hypertrophy than brachial BP.

We examined 327 people: 155 men and 172 women aged 25-44 years from a representative sample from the general population of Novosibirsk. The study program included anthropometry, BP measurement, electrocardiography, biochemical blood analysis. Radial artery applanation tonometry and pulse wave analysis were performed using the SphygmoCor system. Left ventricular hypertrophy was determined by electrocardiographic parameters.

In the general population of Novosibirsk, central aortic BP is more associated with left ventricular myocardial hypertrophy than brachial BP. Central pulse pressure, in contrast to brachial BP, is significantly associated with the R+S index (p=0,0085), as well as RI (p=0,0038) and RaVL (p=0,0039) wave amplitude. Central systolic aortic BP, in contrast to brachial systolic BP, is significantly associated with RI (p=0,042) and RaVL (p=0,029) wave amplitudes. Amplification parameters of central aortic BP, regardless of brachial BP, are associated with indices of left ventricular hypertrophy. Pulse pressure amplification in groups with or without left ventricular hypertrophy, standardized for age, gender, height, waist circumference, heart rate, triglyceride levels, high density lipoprotein cholesterol, low density lipoprotein cholesterol, blood glucose, and brachial pulse pressure, was 13,3 mm Hg and 12,5 mm Hg, respectively (p=0,035). The results of this study substantiate the relevance of the practical use of central aortic BP parameters in addition to the office measurement of brachial BP.
1,3-Oxazines, six-membered heterocyclic compounds containing one nitrogen and one oxygen atom, have been of great interest to medicinal chemists in recent decades, due to the wide range of biological activity they exhibit, including anticancer, antibacterial, antifungal and etc. We found that the Ritter reaction between monoterpenoid (–)-isopulegol and a number of aliphatic and aromatic nitriles in the presence of concentrated sulfuric acid led to a series of chiral 1,3-oxazine derivatives with 35–80 % yields. Carrying out the reaction of (–)-isopulegol with benzyl cyanide in the presence of CF3SO3H made it possible to increase the yield of the product from 40 %, achieved in the presence of H2SO4, to 60 %. Development of new analgesic agents with high activity and low toxicity is very important task. It is known that the heterocyclic compounds synthesized from (–)-isopulegol exhibit analgesic activity. When studying the analgesic activity of the synthesized compounds in vivo, it was found that 1,3-oxazine at a dose of 10 mg/kg exhibited high analgesic activity reliably increasing the latent time of animals being on the hot plate and not inferior in efficiency to the reference drug sodium diclofenac administered at a similar dose.
Results of theoretical researches of the saturated absorption resonance shape in a method of the probing field on V-type of transitions are represented. It is shown that in case of opposite circulary polarized optical fields the resonance is shown in the form of cross, and its form strongly depends on relaxation constants of levels and it can be represented as in the form of a dip, and absorption peak. Thus the peak form has exclusively coherent character. Atomic transitions are offered, on which observation of the given effect is possible.
Cardiovascular complications are more often observed in patients with rheumatoid arthritis. Available cardiovascular risk scales were developed for general population and provide in sufficiently adequate assessment of the cardiovascular event likelihood. Studying the risk factors in rheumatoid arthritis patients is necessary for timely diagnosis and prevention.

Two hundred and twelve Caucasian patients with rheumatoid arthritis were included in our study. Patients had American College of Rheumatology-defined rheumatoid arthritis. General clinical examination of patients, the identification of traditional cardiovascular risk factors, and the determination of disease activity were performed. The atherosclerotic progression was assessed by ultrasonography with carotid intima-media thickness measurement and atherosclerotic plaque detection.

The present study identified the differences between the incidence rates of traditional risk factors in patients with rheumatoid arthritis compared with the corresponding values in world studies and generated comparable results with REMARKA study confirming a significance of studying this question in the context of the Russian population. The results improve understanding of the structure of risk factors in patients with rheumatoid arthritis and may provide the basis for the algorithm of curation of patient with high cardiovascular risk.
Molecular salts and cocrystals of amino acids have potential applications as molecular materials with nonlinear optical, ferroelectric, piezoelectric, and other various target physical properties. The wide choice of amino acids and coformers makes it possible to design various crystal structures. The amino acid-maleic acid system provides a perfect example of a rich variety of crystal structures with different stoichiometries, symmetries and packing motifs built from the molecular building blocks, which are either exactly the same, or differ merely by protonation or as optical isomers.

The present paper reports the crystal structures of two new salts of the DL-norvaline-maleic acid system with 1:1 and 2:1 stoichiometries, namely DL-norvalinium hydrogen maleate, C5H12NO2+·C4H3O4-, (I), and DL-norvalinium hydrogen maleate-DL-norvaline, C5H12NO2+·C4H3O4-·C5H11NO2, (II).

These are the first examples of molecular salts of DL-norvaline with an organic anion. The crystal structure of (I) has the same C22(12) structure-forming motif which is common for hydrogen maleates of amino acids. The structure of (II) has dimeric cations. Of special interest is that the single crystals of (I) which are originally formed on crystallization from aqueous solution transform into single crystals of (II) if stored in the mother liquor for several hours.
The dromedary camel is an economically and socially important species of livestock in many parts of the world, being used for transport and the production of milk and meat. Much like cattle and horses, the camel may be found in industrial farming conditions as well as used in sporting. Camel racing is a multi-million dollar industry, with some specimens being valued at upward of 9.5 million USD. Despite its apparent value to humans, the dromedary camel is a neglected species in genomics. While cattle and other domesticated species have had much attention in terms of genome assembly, the camel has only been assembled to scaffold level, which does not give a clear indication of the order or chromosomal location of sequenced fragments. In this study, the Reference Assistant Chromosome Assembly (RACA) algorithm was implemented to use read-pair information of camel scaffolds, aligned with the cattle and human genomes in order to organize and orient these scaffolds in a near-chromosome level assembly. This method generated 72 large size fragments (N50 54.36 Mb). These predicted chromosome fragments (PCFs) were then compared with comparative maps of camel and cytogenetic map of alpaca chromosomes, allowing us to further upgrade the assembly. This dromedary camel assembly will be an invaluable tool to verify future camel assemblies generated with chromatin conformation or/and long read technologies. This study provides the first near-chromosome assembly of the dromedary camel, thus adding this economically important species to a growing pool of knowledge regarding the genome structure of domesticated livestock.
This Special Issue, "Life: Computational Genomics", presents research articles on systems biology applications, computational genomics, and bioinformatics methods in life sciences [...].
The design of effective target-specific drugs for COVID-19 treatment has become an intriguing challenge for modern science. The SARS-CoV-2 main protease, M pro , responsible for the processing of SARS-CoV-2 polyproteins and production of individual components of viral replication machinery, is an attractive candidate target for drug discovery. Specific M pro inhibitors have turned out to be promising anticoronaviral agents. Thus, an effective platform for quantitative screening of M pro -targeting molecules is urgently needed.

Here, we propose a pre–steady-state kinetic analysis of the interaction of M pro with inhibitors as a basis for such a platform. We examined the kinetic mechanism of peptide substrate binding and cleavage by wild-type M pro and by its catalytically inactive mutant C145A. The enzyme induces conformational changes of the peptide during the reaction. The inhibition of M pro by boceprevir, telaprevir, GC-376, PF-00835231, or thimerosal was investigated. Detailed pre–steady-state kinetics of the interaction of the wild-type enzyme with the most potent inhibitor, PF-00835231, revealed a two-step binding mechanism, followed by covalent complex formation. The C145A M pro mutant interacts with PF-00835231 approximately 100-fold less effectively. Nevertheless, the binding constant of PF-00835231 toward C145A M pro is still good enough to inhibit the enzyme.

Therefore, our results suggest that even noncovalent inhibitor binding due to a fine conformational fit into the active site is sufficient for efficient inhibition. A structure-based virtual screening and a subsequent detailed assessment of inhibition efficacy allowed us to select two compounds as promising noncovalent inhibitor leads of SARS-CoV-2 M pro .
Conditions enabling the single-step preparative synthesis of chiral 4-fluoropolyhydro-2 H -chromenes in good yields through a reaction between monoterpenoid alcohols with para -menthane skeleton and aldehydes were developed for the first time.

The BF 3 ·Et 2 O/H 2 O system is used both as a catalyst and as a fluorine source. The reaction can involve aliphatic aldehydes as well as aromatic aldehydes containing various acceptor and donor substituents.

4-Hydroxyhexahydro-2 H -chromenes were demonstrated to be capable of converting to 4-fluorohexahydro-2 H -chromenes under the developed conditions, the reaction occurs with inversion of configuration.
The effective gating of topological insulators is demonstrated, through the coupling of molecules to their surface.

By using electric fields, they allow for dynamic control of the interface charge state by adding or removing single electrons. This process creates a robust transconductance bistability resembling a single-electron transistor.

These findings make hybrid molecule/topological interfaces functional elements while at the same time pushing miniaturization to its ultimate limit.
We consider the bicriteria asymmetric traveling salesman problem (bi-ATSP). The optimal solution to a multicriteria problem is usually supposed to be the Pareto set, which is rather wide in real-world problems.

For the first time, we apply to the bi-ATSP the axiomatic approach of the Pareto set reduction proposed by V. Noghin. We identify series of "quanta of information" that guarantee the reduction of the Pareto set for particular cases of the bi-ATSP. An approximation of the Pareto set to the bi-ATSP is constructed by a new multiobjective genetic algorithm.

The experimental evaluation carried out in this paper shows the degree of reduction of the Pareto set approximation for various "quanta of information" and various structures of the bi-ATSP instances generated randomly or from TSPLIB problems.
The existence of co-transmitters of the sympathetic nervous system norepinephrine (NE) and ATP implies variations in the neuromodulator mechanisms of physiological processes. The role of ATP, as a transmitter of the peripheral part of sympathetic nervous system in the formation of thermoregulatory response is not clear. Whether ATP modulates any parameters of thermoregulatory response to cold; if yes, whether co-transmitters of sympathetic nervous system ATP and NE differently modulate thermoregulatory response and on which parameters of cold-defense response the influence of ATP is more pronounced.

Experiments were carried out on rats. ATP (10−6), NE (10−3), and their mixture introduced iontophoretically into skin. Their effects on thermoregulatory parameters (temperature parameters, total oxygen consumption, carbon dioxide release, muscle activity, respiratory coefficient) were studied in thermoneutral conditions (without cold load) and under the cooling.

In thermoneutral conditions both ATP and NE enhance total metabolism through increase in metabolic rate of lipids, NE effect being more expressed. It was shown that ATP and NE influence predominantly on the different components of the metabolic response to cold. ATP affects to the greatest extent on cold muscular thermogenesis by increasing shivering almost twofold and lowering its initiation temperature thresholds, whereas NE mainly promotes increase in non-shivering thermogenesis. When introducing the mixture of these biological substances the effect of NE is more expressed and the ATP effect is weakened. The obtained results allow to suggest that in vivo the NE effects can be more expressed when the sympathetic nervous system is stimulated by cold. Thus, NE and ATP being co-transmitters and predominantly acting on the different processes of cold thermogenesis (ATP on shivering and NE on non-shivering) may organize the certain sequence of cold defense responses.
Purpose Cardiovascular disease (CVD) and cancer mortality rates in Eastern Europe are among the highest in the world. Although diet is an important risk factor, traditional eating habits in this region have not yet been explored. This analysis assessed the relationship between traditional dietary pattern and mortality from all-causes, CVD and cancer in Eastern European cohorts. Methods Data from the Health, Alcohol and Psychosocial factors in Eastern Europe prospective cohort were used, including participants from Russia, Poland and the Czech Republic. Based on food frequency questionnaire data, we constructed an Eastern European diet score (EEDS) from nine food groups which can be considered as traditional in this region. The relationship between categorical (low, moderate, high) and continuous (range 0–18) EEDS and mortality was estimated with Cox-regression. Results From 18,852 eligible participants, 2234 died during follow-up. In multivariable adjusted models, participants with high adherence to the traditional Eastern European diet had significantly higher risk of all-cause (HR 1.23; 95% CI 1.08–1.42) and CVD (1.34; 1.08–1.66) deaths compared to those with low adherence. The association with cancer mortality was only significant in Poland (high vs. low EEDS: 1.41; 1.00–1.98). From the specific EEDS components, high consumption of lard was significantly positively related to all three mortality outcomes, while preserved fruit and vegetable consumption showed consistent inverse associations. Conclusion Our results suggest that traditional eating habits may contribute to the poor health status, particularly the high CVD mortality rates, of populations in Eastern Europe. Adequate public health nutritional interventions in this region are essential.
Recent results on e + e − annihilation to hadrons from SND experiment at VEPP-2000 collider are presented. Corresponding data set is about 200 pb −1 of integrated luminosity collected at the energy region below 2 GeV. The processes e + e − → π + π − , π 0 γ, ωπ 0 , π + π − π 0 , ηπ + π − π 0 , η , π + π − 4π 0 have been studied. Searches for e + e − annihilation to C -even resonances η and f 1(1285) were done.
The purpose of the present review is to summarize the data related with the structural features of interaction between the human repair enzyme 8-oxoguanine DNA glycosylase (hOGG1) and DNA.

The review covers the questions concerning the role of individual amino acids of hOGG1 in the specific recognition of the oxidized DNA bases, formation of the enzyme-substrate complex, and excision of the lesion bases from DNA. Attention is also focused upon conformational changes in the enzyme active site and disruption of enzyme activity as a result of amino acid mutations.

The mechanism of damaged bases release from DNA induced by hOGG1 is discussed in the context of structural dynamics.
Numerical research results of heat transfer in layered tree trunk influenced by heat flux from forest fire presented. The problem solved in two-dimensional statement in Cartesian system of co-ordinates. The typical range of influence parameters of heat flux from forest fire considered. Temperature distributions in different moments of time obtained. Condition of tree damage by forest fire influence is under consideration in this research.
Mesenchymal stem cells (MSCs) are considered as a promising tool for the treatment of inflammatory and degenerative diseases, but their effectiveness is associated with the survival of cells in an unfavorable microenvironment. Erythropoietin exhibits an anti-apoptotic effect for non-hematopoietic cells of the human and animal body. The aim of the study was to evaluate the morphofunctional properties of MSCs cultured with erythropoietin. Material and methods. MSCs were obtained from bone marrow aspirate of patients with chronic heart failure. The primary culture of MSCs-EPO was obtained by growth MSCs of the 4th passage for 7-8 days with erythropoietin at a dose of 33 IU/mL. The phenotype, differentiation in the adipogenic and osteogenic directions, proliferation, migration, and production of nitric oxide of MSCs were studied. Results and discussion. The study revealed that the cultivation of MSCs with erythropoietin contributes to an increase in the expression of the main surface molecules that characterize the cells belonging to true MSCs, possess to differentiated of MSCs into adipocytes and osteoblasts, a change in the expression levels of adhesion molecules, a decrease in the level of apoptosis, increased cell migration during the induction of oxidative stress and hyperglycemia. Conclusion. Cultivation of MSCs with erythropoietin increases the resistance of cells to adverse microenvironment factors.
Iron complexes with chiral bipyrrolidine-derived aminopyridine (PDP) ligands are among the most efficient Fe-based bioinspired catalysts for regio- and stereoselective oxidation of C–H and C═C moieties with hydrogen peroxide. Besides hydrogen peroxide, other oxidants (peroxycarboxylic acids and organic hydroperoxides) can be effectively used. In this work, we have examined the mechanistic landscape of the Fe(PDP) catalyst family with various oxidants: H2O2, organic hydroperoxides, and peracids. The combined EPR spectroscopic, enantioselectivity, Hammett, Z-stilbene epoxidation stereoselectivity, and 18O-labeling data witness that the same oxoiron complexes [(L)FeV═O(OC(O)R)]2+ are the actual epoxidizing species in both the catalyst systems (L)Fe/H2O2/carboxylic acid and (L)Fe/AlkylOOH/carboxylic acid. On the contrary, in the systems (L)Fe/R2C(O)OOH (R2 = CH3 or 3–Cl-C6H4), in the presence or in the absence of carboxylic acid, the epoxidation is predominantly conducted by the acylperoxo-iron(III) intermediates [(L)FeIII(OOC(O)R2)]2+, in a concerted fashion.
This paper presents results of numerical modeling of a modified design of an optical sensor based on segmented periodic silicon oxynitride (SiON) grating evanescently coupled with silicon wire.

The device concept was verified by direct numerical modeling through the finite difference time domain (FDTD) method

and provided moderate intrinsic limit of detection (iLOD) ~ 0.004 RIU with a possible iLOD ~ 0.001 RIU for 10 mm-long structures.