Hengzongshu/ArticleAgent huggingface dataset:
In this work, using molecular dynamics methods by Gromacs package we simulate the hydrate formation in systems containing THF, water, and NACL molecules at different thermodynamic conditions and concentration of THF molecules. The curves of the number of hydrogen bonds are obtained depending on the simulation time at different temperatures. The computer simulations results show that the hydrogen bonds between THF and water molecules are relatively weak, with a maximum number of two water molecules hydrogen bonded to THF, but THF can facilitate water molecules rearrangement to form a pentagonal or hexagonal planar ring that is the part of clathrate cavity. In addition, the THF molecule can significantly increase the likelihood to form clathrate cavities suitable for the second guest molecule. The effect of THF molecules concentration on the hydrate cavities formation with adding NaCL molecules into the modeling system is shown. In this work, data are obtained on the magnitude of torsion angles, the percentage of which increases depending on the simulation time, which allows concluding that labile large and small cavities of sII hydrates are formed. The increase in the THF molecules concentration is shown to lead to a decrease in the hydrogen bonds number of water molecules in the simulated system.
As urogenital tuberculosis (UGTB) has no specific clinical features, it is often overlooked. To identify some of the reasons for misdiagnosing UGTB we performed a systematic review. We searched in Medline/PubMed papers with keywords ‘urogenital tuberculosis, rare’ and ‘urogenital tuberculosis, unusual’. ‘Urogenital tuberculosis, rare’ presented 230 articles and ‘urogenital tuberculosis, unusual’ presented 81 articles only, a total of 311 papers. A total of 34 papers were duplicated and so were excluded from the review. In addition, we excluded from the analysis 33 papers on epidemiological studies and literature reviews, papers describing non-TB cases and cases of TB another than urogenital organs (48 articles), cases of congenital TB (three articles), UGTB as a case of concomitant disease (16 articles), and UGTB as a complication of BCG-therapy (eight articles). We also excluded 22 articles dedicated to complications of the therapy, which made a total of 164 articles. Among the remaining 147 articles we selected 43 which described really unusual, difficult to diagnose cases. We also included in our review a WHO report from 2014, and one scientific monograph on TB urology. The most frequent reasons for delayed diagnosis were absence typical clinical features of UGTB, and the tendency of UGTB to hide behind the mask of another disease. We can conclude that actually UGTB is not rare disease, but it is often an overlooked disease. The main reasons for delayed diagnosis are vague, atypical clinical features and a low index of suspicion.
Schizophrenia is known to be accompanied not only with an imbalance in the neurotransmitter systems but also with immune system dysregulation and chronic low-grade inflammation. Extracellular histones and nucleosomes as damage-associated molecular patterns (DAMPs) trigger systemic inflammatory and toxic reactions by activating Toll-like receptors.

In this work, we obtained the first evidence that polyclonal IgGs of patients with schizophrenia effectively hydrolyze five histones (H1, H2a, H2b, H3, and H4). Several strict criteria were used to demonstrate that histone-hydrolyzing activity is a property of the analyzed IgGs. The IgGs histone-hydrolyzing activity level, depending on the type of histone (H1–H4), was statistically significantly 6.1–20.2 times higher than that of conditionally healthy donors. The investigated biochemical properties (pH and metal ion dependences, kinetic characteristics) of these natural catalytic IgGs differed markedly from canonical proteases.

It was previously established that the generation of natural catalytic antibodies is an early and clear sign of impaired humoral immunity. One cannot, however, exclude that histone-hydrolyzing antibodies may play a positive role in schizophrenia pathogenesis because histone removal from circulation or the inflamed area minimizes the inflammatory responses. Thus, it can be assumed that histone-hydrolyzing antibodies are a link between humoral immunity and inflammatory responses in schizophrenia.
The efficiency of new method is demonstrated in comparison with the classical Blahut - Arimoto algorithm for several known channels.

An iterative method for computing the channel capacity of both discrete and continuous input, continuous output channels is proposed. Moreover, we also present a hybrid method combining advantages of both the Blahut - Arimoto algorithm and our iterative approach.

The new method is especially efficient for the channels with a priory unknown discrete input alphabet.
Gorely is an active volcano located 75 km from Petropavlovsk-Kamchatsky, Kamchatka. In 2010–2015, it exhibited strong activity expressed by anomalously high gas emission.

In 2013–2014, we deployed a temporary network consisting of 20 temporary seismic stations that operated for one year. We selected 333 events with 1613 P-wave and 2421 S-wave arrival times to build the first tomographic model of this volcano. The seismic model was carefully verified using a series of synthetic tests.

Our tomographic model provides a mechanism for volatile feeding of Gorely. An unexpected feature of the model was low Vp/Vs ratios; below 1.4 in some parts. One reason for such low Vp/Vs ratios is gas contamination due to magma degassing. In the central part of the model, directly underneath the Gorely crater, we observe a 2.5 km wide and 1.5 km thick seismic anomaly with a very high Vp/Vs ratio of up to 2. This may represent a magma reservoir with a high melt and/or volatile content. The upper limit of this anomaly, 2.5 km below the surface, may indicate the degassing level, which coincides with the most intense seismicity. Below this reservoir, we observe another columnar high Vp/Vs ratio anomaly. This can be interpreted as a conduit bringing magma and fluids from deeper sources.
PDBSiteScan is a web-accessible program designed for searching three-dimensional (3D) protein fragments similar in structure to known active, binding and posttranslational modification sites. A collection of known sites we designated as PDBSite was set up by automated processing of the PDB database using the data on site localization in the SITE field. Additionally, protein-protein interaction sites were generated by analysis of atom coordinates in heterocomplexes. The total number of collected sites was more than 8100; they were assigned to more than 80 functional groups. PDBSiteScan provides automated search of the 3D protein fragments whose maximum distance mismatch (MDM) between N, Calpha and C atoms in a fragment and a functional site is not larger than the MDM threshold defined by the user. PDBSiteScan requires perfect matching of amino acids. PDBSiteScan enables recognition of functional sites in tertiary structures of proteins and allows proteins with functional information to be annotated. The program PDBSiteScan is available at http://wwwmgs.bionet.nsc.ru/mgs/systems/fastprot/pdbsitescan.html.
A new zinc coordination polymer with rigid benzene-1,4-dicarboxylate (bdc) and flexible 1,6-bis(1,2,4-triazol-1-yl)hexane (btrh), namely poly[[(μ 2 -benzene-1,4-dicarboxylato)[μ 2 -1,6-bis(1,2,4-triazol-1-yl)hexane]zinc] dimethylformamide monosolvate], [Zn(C 8 H 4 O 4 )(C 10 H 16 N 6 )]·C 3 H 7 NO, was synthesized. According to the single-crystal XRD analysis, the product crystallizes in the P -1 space group and has a layered structure. Analysis of the layered structure reveals {Zn(bdc)} chains which are connected by pairs of btrh ligands.

The layers are packed tightly perpendicular to the [1-22] direction, separated by one non-disordered dimethylformamide solvent molecule per formula unit. According to thermogravimetric analysis, the product completely loses this solvent at 453 K; the desolvated compound is stable up to 503 K. As a result of the lack of hydrogen-donor groups, hydrogen bonds are not observed in the structure of the complex; however, an intermolecular C—H...π contact of 3.07 Å occurs.
We construct a universal Vassiliev invariant for braid groups of the sphere and the mapping class groups of the sphere with $n$ punctures. The case of a sphere is different from the classical braid groups or braids of oriented surfaces of genus strictly greater than zero, since Vassiliev invariants in a group without 2-torsion do not distinguish elements of braid group of a sphere.
The main goal of this study was to examine the effect of long-term meditation practice on behavioral indicators and ERP peak characteristics during an error-recognition task, where participants were presented with emotionally negative (evoking anxiety or aggression) written sentences describing self-related or non-self-related emotional state and personality traits. In total, 200 sentences written in Russian with varying emotional coloring were presented during the task, with half of the sentences containing a grammatical error that the participants were asked to identify. The EEG was recorded in age-matched control individuals (n = 17) and two groups of Samatha meditators with relatively short- (3-5 years' experience, n = 18) and long-term (10-30 years' experience, n = 18) practice experience. Task performance time (TPT) and accuracy of error detection (AED) were chosen as behavioral values. Amplitude, time latency and cortical distribution of P300 and P600 peaks of ERP were used as a value of speech-related brain activity. All statistical effects of meditation were estimated, controlling for age and sex. No behavioral differences between two groups of meditators were found. General TPT was shorter for both groups of meditators compared to the control group. Non-meditators reacted significantly slower to sentences about aggression than to sentences about anxiety or non-emotional sentences, whereas no significance was found between meditator groups. Non-meditators had better AED for the sentences about one-self than for the sentences about other people, whereas the meditators did not show any significant difference. The amplitude of P300 peak in frontal and left temporal scalp regions was higher for long-term meditators in comparison with both intermediate and control groups. The latency of P300 and P600 in left frontal and temporal regions positively correlated with TPT, whereas the amplitude of P300 in these regions had a negative correlation with TPT. We demonstrate that long-term meditation practice increases the ability of an individual to process negative emotional stimuli. The differences in behavioral reactions after onset of negative information that was self-related and non-self-related, which is typical for non-meditators, disappeared due to the influence of meditation. ERP results could be interpreted as a value of increase in voluntary control over emotional state during meditational practice.
passively mode-locked fibre laser

measurements of intensity spatio-temporal dynamics, method to distinguish various types of generated coherent structures including rogue and shock waves by means of introducing intensity ACF evolution map, combination of heterodyning and intensity spatio-temporal measurement concept

experimentally uncover distinct, dynamic and stable spatio-temporal generation regimes of various stochasticity and periodicity properties in though-to-be unstable laser, spectral dynamics could be measured in fiber lasers generating irregular train of pulses of quasi-CW generation
CD95/Fas/APO-1 is a member of the death receptor family that triggers apoptotic and anti-apoptotic responses in particular, NF-κB. These responses are characterized by a strong heterogeneity within a population of cells.

To determine how the cell decides between life and death we developed a computational model supported by imaging flow cytometry analysis of CD95 signaling.

Here we show that CD95 stimulation leads to the induction of caspase and NF-κB pathways simultaneously in one cell. The related life/death decision strictly depends on cell-to-cell variability in the formation of the death-inducing complex (DISC) on one side (extrinsic noise) vs. stochastic gene expression of the NF-κB pathway on the other side (intrinsic noise). Moreover, our analysis has uncovered that the stochasticity in apoptosis and NF-kB pathways leads not only to survival or death of a cell, but also causes a third type of response to CD95 stimulation that we termed ambivalent response. Cells in the ambivalent state can undergo cell death or survive which was subsequently validated by experiments. Taken together, we have uncovered how these two competing pathways control the fate of a cell, which in turn plays an important role for development of anti-cancer therapies.
Major (CD9, CD63, CD81) and others (CD82, CD151, Tspan8) tetraspanins are widely represented in exosomes, where they interact with various proteins and form functional tetraspanin complexes. Tetraspanin complexes include proteases. Tetraspanin-associated exosomal proteases (ADAM proteases, MMPs, EMMPRIN) play an important role in the processes of cell motility, migration, invasion and formation of metastases. Also, a significant contribution to tumor progression is made by proteases that are not associated with tetraspanins. They destabilize intercellular contacts, promote migration and invasion of tumor cells, participate in the regulation of the expression IGF-I, VEGF and transcription factors activation/deactivation. The role of other proteases of exosomes in the processes of tumor progression is being clarified.
Long-lived light bullets fully localized in both space and time can be generated in novel photonic media such as multicore optical fiber or waveguide arrays.

In this paper we present detailed theoretical analysis on the existence and stability of the discrete-continuous light bullets using a very generic model that occurs in a number of applications.
The literature review is devoted to a new class of chronic heart failure, namely: chronic heart failure with mid-range ejection fraction (HFmrEF).

In this article, we aim to clarify the existing literature on the clinical characteristics and pathophysiology of this newly-defined group of patients.

Modern approaches to the therapy of HFmrEF are analyzed.
A "caster's cache" discovered at Tartas-1 cemetery in the Baraba forest-steppe is described and compared with other similar fi nds. Caches are very rare in Siberia. Because descriptions are incomplete, their total number is unknown.

The Tartas-1 cache was found in a rectangular pit close to Late Krotovo (Cherno-Ozerye) burials. The infi ll of the pit contained a mandible, part of a scapula and an incisor of a horse, a rib fragment and fragments of cranium of a cow, and potsherds from at least three vessels. The cache consisted of fi fteen items: a whetstone, a bone arrowhead, two copper ingots, a fragment of a bracelet with spiral end, a bronze needle, six fl uted cylindrical beads, and three bronze knife-like pendants. Parallels to each artifact are discussed.

Especially noteworthy are standard copper ingots used for storing and transporting metal during trade operations. Evidently, metal items in this cache were laid in for future use in manufacture or trade. The cache might as well have been ritual. All its items are typical of Late Krotovo (Cherno-Ozerye) culture of early or mid-2nd millennium BC.
Siberian silk moth (Dendrolimus superans sibiricus) is a very dangerous pest of coniferous trees, in particular, larch and various pine species. Outbreaks of this pest lead to defoliation and forest destruction in a vast area of the Asian part of Russia. Many biological agents, such as viruses, pathogenic microorganisms and parasitoids, prevent the growth of Siberian silk moth population. Here we consider non-pathogen symbiotic Wolbachia bacteria, which are transovarially transmitted between specimens from mother to offspring. This symbiont has an ability to affect biology of its host. In theory, Wolbachia can prevent the growth of population size or induce it, which determines the focus of interest in Wolbachia-host investigation. Two samples from a Siberian silk moth population collected in 2014 and 2016 in Khabarovsk area were studied for Wolbachia infection. We found a high Wolbachia prevalence in the population of Siberian silk moth, in particular, the sample of 2014 was totally infected and the sample of 2016 had 90 % infected specimens. There were at least two distinct Wolbachia strains reveled by analysis of two loci from the MLST protocol, namely f tsZ-36, f bpA-4 and f tsZ-22, f bpA-9. In this study, a possible role of Wolbachia in the symbiotic association with Siberian silk moth and general ways of investigation of this symbiosis are discussed.
// Galina Kochneva 1, 2 , Evgeniy Zonov 3 , Antonina Grazhdantseva 2 , Anastasiya Yunusova 1, 3 , Galina Sibolobova 2 , Evgeniy Popov 1, 2 , Oleg Taranov 2 , Sergei Netesov 1, 2 , Peter Chumakov 1, 4 , Elena Ryabchikova 1, 3 1 Novosibirsk State University, Novosibirsk, Russia 2 State Research Center of Virology and Biotechnology "Vector", Koltsovo, Russia 3 Institute of Chemical Biology and Fundamental Medicine, SB RAS, Novosibirsk, Russia 4 Engelhardt Institute of Molecular Biology, Moscow Correspondence to: Elena Ryabchikova, e-mail: lenryab@yandex.ru Sergei Netesov, e-mail: nauka@nsu.ru Keywords: Vaccinia virus, apoptin expressing recombinant, oncolytic properties, carcinoma A431 Received: July 15, 2014 Accepted: October 08, 2014 Published: November 19, 2014 ABSTRACT A recombinant vaccinia virus VVdGF-ApoS24/2 expressing apoptin selectively kills human cancer cells in vitro [Kochneva et al., 2013]. We compared the oncolytic activity of this recombinant with that of the parental strain L-IVP using a model of human A431 carcinoma xenografts in nude mice. Single intratumoral injections (2×10 7 PFU/mouse) of the viruses produced a dramatic decrease in tumor volumes, which was higher after injection of apoptin-producing virus. The tumor dried out after the injection of recombinant while injection of L-IVP strain resulted in formation of cavities filled with cell debris and liquid. Both viruses rapidly spread in xenografts and replicate exclusively in tumor cells causing their destruction within 8 days. Both viruses induced insignificant level of apoptosis in tumors. Unlike the previously described nuclear localization of apoptin in cancer cells the apoptin produced by recombinant virus was localized to the cytoplasm. The apoptin did not induce a typical apoptosis, but it rather influenced pathway of cell death and thereby caused tumor shrinkage. The replacement of destroyed cells by filamentous material is the main feature of tumor regression caused by the VVdGF-ApoS24/2 virus. The study points the presence of complicated mechanisms of apoptin effects at the background of vaccinia virus replication.
The aim of our study was to perform an association analysis between MMP2 , MMP3 , MMP9 , VEGF gene polymorphisms and development of non-proliferative diabetic retinopathy (DR) in the type 2 diabetic patients (DM). 201 DM patients: 90 cases of DR and 111 subjects without DR features were included into the study. Polymorphic variants of MMP2 ( rs2438650 ), MMP3 ( rs3025058 ), MMP9 ( rs3918242 ), and VEGF ( rs699947 and rs3025039 ) genes were assayed. The genetic typing was carried out by restriction fragment length polymorphism and TaqMan methods. The analysis of complex genotypes at the five polymorphic positions has revealed some significant findings in positive and negatively incorporated complexes. Increased frequencies of MMP2-1306 CC genotype in the group of patients with “early” development of complication, and more frequent combination of high-level HbA1c with MMP2-1306CC and MMP9-1562CT genotypes were shown in DR patients. Computerassisted modelling with visual reconstruction of network interactions between the genotypes involved into the destruction events and angiogenesis, as well as altered HbA1с levels (an integral parameter of glycemia), has revealed some differences in structural and functional organization of gene-gene and gene- protein interactions between the groups of patients with DR versus those without this disorder. Сonclusion. A design of interactome biological networks based on transcription regulation and metabolic pathways, as well as their topological analysis allows to build and study interactions of genes and proteins, with reference to pathogenetic studies of DM2 complications aiming for development of approaches to personalized prevention and therapy in future times.
Steady axisymmetric flow of a viscoelastic incompressible fluid near the critical point of the plane surface is considered.

Model of Maxwellian fluid with upper convected derivative in the rheological constitutive law is used. Velocity and extra stresses field are discussed for various Weissenberg numbers. The subclass of solutions in a stationary case is completely described. The asymptotic solutions for small Weissenberg numbers are compared to the solutions of the complete nonlinear problem.

It is found that the fluid elasticity decreases the boundary layer thickness.
The catalytic activity of MoVTeNbO catalyst and its constituent phases (M1, M2 and Mo5O14-like) in the oxidation of propane, as well as propylene and acrolein, which are intermediates of acrylic acid formation from propane, was studied. In all the reactions, the М1 phase shows higher activity and selectivity, compared to M2 and Mo5O14-like phases; its presence being sufficient for efficient proceeding the propane oxidation to acrylic acid.
Three-body B+→p¯pK+ and B+→p¯pπ+ decays are studied using a data sample corresponding to an integrated luminosity of 3.0 fb−1 collected by the LHCb experiment in proton-proton collisions at center-of-mass energies of 7 and 8 TeV. Evidence of CP violation in the B+→p¯pK+ decay is found in regions of the phase space, representing the first measurement of this kind for a final state containing baryons. Measurements of the forward-backward asymmetry of the light meson in the p¯p rest frame yield AFB(p¯pK+,mp¯p<2.85 GeV/c2)=0.495±0.012 (stat)±0.007 (syst) and AFB(p¯pπ+,mp¯p<2.85 GeV/c2)=−0.409±0.033 (stat)±0.006 (syst). In addition, the branching fraction of the decay B+→¯Λ(1520)p is measured to be B(B+→¯Λ(1520)p)=(3.15±0.48 (stat)±0.07 (syst)±0.26 (BF))×10−7, where BF denotes the uncertainty on secondary branching fractions.Received 22 July 2014DOI:https://doi.org/10.1103/PhysRevLett.113.141801This article is available under the terms of the Creative Commons Attribution 3.0 License. Further distribution of this work must maintain attribution to the author(s) and the published article’s title, journal citation, and DOI.© 2014 CERN, for the LHCb Collaboration
We investigated the incidence of 15 respiratory viruses among 2991 children with acute respiratory infections in Novosibirsk city, Russia, prior to the COVID-19 pandemic (2013-2020).

Viral infections were detected in 72.5% cases.

The incidence of human coronavirus was 2% (Alphacoronaviruses, 63%; Betacoronaviruses, 37%).