Hengzongshu/ArticleAgent huggingface dataset:
ZIF-8 is one of the most interesting metal–organic frameworks due to its high stability and unique capabilities for hydrocarbons separation. Its porous network is formed by large almost spherical cavities interconnected by very narrow windows, ∼3.4 Å, which should be too small even for methane. At the same time the direct experimental observations show that ZIF-8 cavities are able to host even such large molecules as benzene. This effect is associated with the flexibility of the cavity widows, arising from dynamical freedom on the 2-methylimidazole (2-mIM) linkers that form the framework. In this work, by means of 2H NMR we show that the 2-mIM linkers of the ZIF-8 are very mobile and their mobility is sensitive to the presence of benzene guest. In contrast with other known MOFs based on linearly bonded carboxylates, in guest-free ZIF-8 the plane of 2-mIM linker exhibits two-site flips within a sector of 2φf = 34° with very low activation barrier (1.5 kJ mol–1) and high rates (∼1012 s–1). Above 380 K the linkers begin to demonstrate additional fast librations with gradually increasing amplitudes γlib comparable with the two-site flips (γlib = ±17° above 560 K). This is direct evidence that the ZIF-8 linkers twist notably, thus increasing the aperture of the windows sufficiently to fit very large molecules. Upon benzene loading, the geometry of the observed motions remains similar but the potential barrier of the linkers flipping rises up to 9 kJ mol–1.
Comparative genomics analysis of conserved gene cassettes demonstrated resemblance between a recently described cassette of genes involved in sulphoquinovose degradation in Escherichia coli K-12 MG1655 and a Bacilli cassette linked with lactose degradation. Six genes from both cassettes had similar functions related to carbohydrate metabolism, namely, hydrolase, aldolase, kinase, isomerase, transporter, and transcription factor.

This prediction was confirmed experimentally: expression of genes coding for aldolase (yihT), isomerase (yihS), and kinase (yihV) was dramatically increased during growth on lactose. Transcription starts for yihT, yihV and yihW were mapped in silico, in vitro and in vivo.

The Escherichia coli sulphoglycolysis cassette was thus predicted to be associated with lactose degradation. These genes were previously shown to be activated during growth on sulphoquinovose, so our observation may indicate multi-functional capabilities of the respective proteins. Out of three promoters for yihT, one was active only during growth on lactose. We further showed that switches in yihT transcription are controlled by YihW, a DeoR-family transcription factor in the Escherichia coli cassette. YihW acted as a carbon source-dependent dual regulator involved in sustaining the baseline growth in the absence of lac-operon, with function either complementary, or opposite to a global regulator of carbohydrate metabolism, cAMP-CRP.
A train of short charged particle bunches can efficiently drive a strong plasma wakefield over a long propagation distance only if all bunches reside in focusing and decelerating phases of the wakefield.

This is shown possible with equidistant bunch trains, but requires the bunch charge to increase along the train and the plasma frequency to be higher than the bunch repetition frequency.

A train of short charged particle bunches can efficiently drive a strong plasma wakefield over a long propagation distance.
The MEG experiment, designed to search for the mu+->e+ gamma decay at a 10^-13 sensitivity level, completed data taking in 2013.

In order to increase the sensitivity reach of the experiment by an order of magnitude to the level of 6 x 10-14 for the branching ratio, a total upgrade, involving substantial changes to the experiment, has been undertaken, known as MEG II.

We present both the motivation for the upgrade and a detailed overview of the design of the experiment and of the expected detector performance.
Experimental investigations are performed to determine the effect of the passive porous coating on the stability of the hypersonic boundary layer on the cone at small angles of attack. Measurements of the pressure disturbances on the cone surface showed that, the increase of the angle of attack leads to decrease of the second-mode amplitude, when the smooth cone side is the windward side. On the leeward side the amplitude of the disturbances increase with the angle of attack until the boundary layer is laminar. It was found that the ultrasonically absorptive coating leads to the energy decrease of the second-mode disturbances on both leeward and windward side of the sharp cone.
Presently, language scales are the object of intensive research in semantics and pragmatics, from linguistic, logical, psycholinguistic, and neuro-linguistic perspectives. An interest in studying linguistic scales in pragmatics has increased primarily due to the works of H. P. Grice, L. Horn, G. Gazdar, and S. Levinson. An important class of general pragmatic principles of communication was introduced by H. P. Grice and then was elaborated on greater detail in neo-gricean pragmatics. This class of principles specifies quantity characteristics of communication, and can be defined in terms of scales.

The article proposes: 1) to elicit a system of potential language scales for a concrete language; 2) to consider individual / situational scales; 3) to consider dynamics of scales in speech (in accordance with basic ideas of dynamic semantics).

Language scales give rise to a special class of implicatures called 'scalar implicatures'. Scalar implicature appears as a result of this choice. Each position potentially generates a certain set of implications. This pragmatic phenomenon is intensively studied in linguistics, logic, and experimental investigations. The proposed areas of practical application are the following: stylistic analysis and studying an author’s style, modelling of reasoning and communication (particularly in dialogue systems), constructing formal ontologies of different subject areas.
The article deals with the representation of the concept of money in the feature film Elena by Andrey Zvyagintsev. Money is first of all a plot-forming element because this is the reason behind the conflict between the main characters, which is shown in the film. At the visual level, the concept is represented explicitly by constant demonstration of money, and implicitly, with the help of objects reflecting the level of people’s welfare. There is a striking contrast between the ‘world of the rich’, whose main representative is Vladimir, and the ‘world of the poor’ where Elena’s son’s family live. The protagonist unites these two worlds. We also found out several attributes of this concept at the verbal level, in the discourse of the characters. Some of these attributes are connected with the functioning of money, its use in the daily life, and legal financial aspects. Vladimir’s discourse contains verbal markers reflecting his idea of money as a symbol of work, responsibility for one’s own life and their family’s welfare, a symbol of maturity and independence. The analysis of the discourse of Elena and her relatives revealed completely different realizations of the concept, demonstrating that in their worldview money represents help and support which people are obliged to give to the ones who are in difficult situations. Less frequent concept attributes are meaning of life and freedom.
Gold atoms dispersed on multiwalled carbon nanotubes have been successfully utilized in the heterogeneous hydrogenation of 1,3-butadiene or 1-butyne with parahydrogen, as reported by K. V. Kovtunov et al. in their Communication on page 7012 ff. The estimated contributions of the pairwise hydrogen addition route, and therefore the achieved NMR signal enhancement levels, are at least an order of magnitude higher than those obtained with supported metal nanoparticles.
The photo-oxidation of purine nucleotides adenosine-5'-monophosphate (AMP) and guanosine-5'-monophosphate (GMP) by 3,3',4,4'-benzophenone tetracarboxylic acid (TCBP) has been investigated in aqueous solutions using nanosecond laser flash photolysis (LFP) and time-resolved chemically induced dynamic nuclear polarization (CIDNP).

The pH dependences of quenching rate constants and of geminate polarization are measured within a wide range of pH values. As a result, the chemical reactivity of reacting species in different protonation states is determined.

In acidic solution (pH 9.4), kq = 1.0 × 10(8) M(-1) s(-1) (AMP, pH > 6.5). Surprisingly, the strong influence of the protonation state of the phosphoric group on the oxidation of adenosine-5'-monophosphate is revealed: the deprotonation of the AMP phosphoric group (6.5) decreases the quenching rate constant from 5.0 × 10(8) M(-1) s(-1) (4.9 6.5).
Here we describe a toolkit for presenting physiologically based pharmacokinetic (PBPK) models in a modular graphical view in the BioUML platform.

Firstly, we demonstrate the BioUML capabilities for PBPK modeling tested on an existing model of nanoparticles delivery to solid tumors in mice. Secondly, we provide guidance on the conversion of the PBPK model code from a text modeling language like Berkeley Madonna to a visual modular diagram in the BioUML. We give step-by-step explanations of the model transformation and demonstrate that simulation results from the original model are exactly the same as numerical results obtained for the transformed model.

The main advantage of the proposed approach is its clarity and ease of perception. Additionally, the modular representation serves as a simplified and convenient base for in silico investigation of the model and reduces the risk of technical errors during its reuse and extension by concomitant biochemical processes. In summary, this article demonstrates that BioUML can be used as an alternative and robust tool for PBPK modeling.
We present an optical fiber experiment in which we examine the space-time evolution of a modulationally unstable plane wave initially perturbed by a small noise. Using a recirculating fiber loop as an experimental platform, we report the single-shot observation of the noise-driven development of breather structures from the early stage to the long-term evolution of modulation instability. Performing single-point statistical analysis of optical power recorded in the experiments, we observe decaying oscillations of the second-order moment together with the exponential distribution in the long-term evolution, as predicted by Agafontsev and Zakharov [Nonlinearity 28, 2791 (2015).NONLE50951-771510.1088/0951-7715/28/8/2791]. Finally, we demonstrate experimentally and numerically that the autocorrelation of the optical power g^{(2)}(τ) exhibits some unique oscillatory features typifying the nonlinear stage of the noise-driven modulation instability and of integrable turbulence.
The paper deals with the problem of the 1D and 2D structures of detonation waves (DW) in the silane-air mixture within the framework of mathematical model of a nonequilibrium gas dynamics.

Detailed kinetics scheme of silane oxidation as well as the newly developed reduced kinetic model of detonation combustion of silane are used. On its basis the DW structure in stoichiometric silane - air mixture and dependences of Chapman-Jouguet parameters of mixture on stoichiometric ratio between the fuel (silane) and an oxidizer (air) were obtained.

It was revealed that in the reaction zone, in the structure of DW, the heat release in the model with detailed kinetics is non-monotonic.
Aim . To confirm association between sudden cardiac death (SCD) and single nucleotide polymorphisms rs6582147 rs 10010305, rs2136810, rs17797829, identified as the most likely candidate markers. Material and methods . The SCD group (n=360, mean age 53,0±9,2 years, men — 76,9%, women — 23,1%) was formed using the SCD criteria of the European Society of Cardiology. The control group (n=402, mean age 52,9±9,1 years, men — 69,7%, women — 30,3%) was selected by gender and age from the DNA bank of international studies MONICA, HAPIEE. DNA is separated by phenol-chloroform extraction. Genotyping was performed by polymerase chain reaction followed by analysis of restriction fragment length polymorphism. Results . The GT rs6582147 genotype is associated with a protective effect on SCD (OR=0,671, 95% CI 0,496-0,909, p=0,011), and the GG genotype with an increased risk of SCD (OR=1,598, 95% CI 1,195-2,135, p=0,002). The greatest effect was in the group of men over 50 years old (p<0,05). The CT rs10010305 genotype is associated with SCD in the group of men (OR=1,773, 95% CI 1,085-2,897 p=0,027), in the group of men over 50 years old (p<0,05) and in the group of people over 50 years old without separation according to sex (OR=1,719, 95% CI 1,038-2,847 p=0,041). The GG rs2136810 genotype is associated with an increased risk of SCD (OR=1,372, 95% CI 1,005-1,871, p=0,049); in the group of people over 50, the GA rs2136810 genotype is associated with a protective effect against SCD (OR=0,642, 95% CI 0,422-0,976, p=0,045). In the group of women, the GG rs17797829 genotype is protective for SCD (OR=0,392, 95% CI 0,203-0,760, p=0,007), in the group of women over 50, except for the GG genotype, the AA genotype of the same polymorphism is associated (OR=2,739, 95% CI 2,176-3,448, p=0,020). Conclusion . According to the results of study, single nucleotide polymorphisms rs6582147 rs10010305, rs2136810, rs17797829 confirmed the association with SCD.
We investigate the complexity of embeddings between bi-embeddable structures. In analogy with categoricity spectra, we define the bi-embeddable categoricity spectrum of a structure A as the family of Turing degrees that compute embeddings between any computable bi-embeddable copies of A; the degree of bi-embeddable categoricity of A is the least degree in this spectrum (if it exists).

We extend many known results about categoricity spectra to the case of bi-embeddability.

In particular, we exhibit structures without degree of bi-embeddable categoricity, and we show that every degree d.c.e above 0 ( α ) for α a computable successor ordinal and 0 ( λ ) for λ a computable limit ordinal is a degree of bi-embeddable categoricity. We also give examples of families of degrees that are not bi-embeddable categoricity spectra.
Chemotaxonomy as a system approach deals with intra- and interspecific polymorphism of a group of taxa in order to clarify their taxonomic positions or to select material for selection or introduction. In this study we performed chemotaxonomic analysis of specimens of Miscanthus sinensis and M. sacchariflorus collected in the Russian Far East and of hybrid plants of both natural and artificial origin. We found 153 substances and identified 143 of them in extracts of eleven Miscanthus plants by gas chromatography-mass spectrometry (GC-MS). These substances can be grouped into alkanes (20 compounds), fatty acids (34), phenols (13), sterols (18) toсopherols (8), norterpenoids (12), and phytols (13), as well as their derivatives. The main components of the extracts of miscanthus samples are fatty acids and their derivatives (total content 19.94–41.02 %), dominated by palmitic and linolenic acids, and sterols (mainly β-sitosterol, stigmasterol, and α-amyrin), which constitute 17.15–31.73 %. The values of the CPI “oddness index” for the alkane components of the extracts were within 1.55–7.18, with extracts from leaves of the Far Eastern samples characterized by the lower half of this range (1.55–2.74), while extracts from leaves of hybrids fell to the upper half (5.78–7.18). Principal component analysis of extraction profiles allowed us to separate three distinct clusters: M. sinensis , M. sachariflorus , and their hybrids, as well as to verify the origin of one of the natural hybrids. The results of chemotaxonomic analysis mostly matched those of DNA sequencing of a fragment of the plastid genome, which, moreover, allowed us to identify the species nature of the maternal plants used to obtain these hybrids. Chemotaxonomic analysis using GC-MS was found to be an efficient additional technique to delimit various morphological forms of M. sinensis , M. sachariflorus , and their hybrids.
ABSTRACT Objective The incidence of adult degenerative scoliosis (ADS) among individuals over 50 years old can be as high as 68%. Surgical interventions aimed at correcting the spinal deformity in elderly patients are accompanied by a high risk of complications. The use of lateral lumbar interbody fusion (LLIF) is associated with lower rates of complications when compared with open anterior or posterior fusions. Methods Ninety-three patients with ADS (23 men, 70 women) were operated at the Federal Neurosurgical Center. The average age was 63 (52 to 73 years). Results Back pain, measured according to the Visual Analogue Scale (VAS), decreased from 5.9/6 (4;8) (format – mean/median (1;3 quartile)) to 2.6/3 (1;3) points (p <0.0001). Leg pain according to the VAS decreased from 4.6/4 (3;7) to 1.4/1 (0;2) points (p < 0.0001). Functional adaptation according to the Oswestry Disability Index (ODI) improved from 47.8±17.4 to 38.5±14.5 (p < 0.0273). Pelvic tilt (PT) before the surgery was 23.9±12.2° whereas at 12 months follow-up it was 16.8±5.9° (p < 0.0001). PI-LL mismatch pre surgery was 12.1/13 (9;16)° whereas 12 months later it was 7.9/8 (6;10)° (p = 0.0002). Conclusions Restoration of local sagittal balance in ADS patients by short-segment fixation using LLIF technology leads to a statistically significant improvement in quality of life and increased functional adaptation. A lower incidence of early and late postoperative complications, less intraoperative blood loss and shorter hospital stay makes LLIF, in combination with minimally invasive transpedicular fixation, the method of choice to correct ADS in elderly patients. Level of evidence IV; Case series.
The dynamics of high-energy Raman solitons in graded-index multimode fibers is both numerically and experimentally investigated. The propagation of high-power pulses produces nonlinear losses, that quench up to 80% of the fiber transmission. In such a regime, several solitons arising from the fission of ultra-short femtosecond pulses manifest unique features: pulse width, Raman self-frequency shift and soliton order remain nearly constant over a broad range of energies.
Polymorphism is an ever growing area of interest in chemistry. Many active pharmaceutical ingredients (APIs) have the potential to have polymorphic forms, which can subsequently be used to the advantage of the pharmaceutical industry. There are a variety of conditions in which polymorphism can be examined; one way which has sparked interest in recent years is the influence of pressure and its effect on the behaviour of intermolecular bonds. The polymorphs of paracetamol were the first solid drugs for which the properties were compared at different pressures [1-2]. Another interesting research direction involves the comparison of the structural response to pressure of a series of chemically different compounds with similar molecular fragments, but possessing different molecular packing and intermolecular interactions. This is important for crystal engineering and for understanding structure-properties relationships.

In the present study, we compare the response to pressure of a series of organic compounds with a common acetamide fragment: two polymorphs of paracetamol, two polymorphs of acetotoluidine, polymorphs and a hydrate of metacetamol, methacetin, and phenacetin. Both single-crystal Raman spectroscopy and X-ray diffraction were used. The effects of various pressure media have also undergone examination.

The study was supported by the Year Abroad Programme of the University of Edinburgh (LM, CB), Russian Ministry of Science and Education and Russian Academy of Sciences (BAZ, SVG, EVB).
The cross section of the process $e^+e^- \to \pi^+\pi^-\pi^0\eta$ has been measured using a data sample of 21.8 pb$^{-1}$ collected with the CMD-3 detector at the VEPP-2000 $e^+e^-$ collider. 2769$\pm$95 signal events have been selected in the center-of-mass energy range 1394--2005 MeV. The production dynamics is dominated by the $\omega(782)\eta$ and $\phi(1020)\eta$ intermediate states in the lower energy range, and by the $a_0(980)\rho(770)$ intermediate state at higher energies.
The new American College of Cardiology/American Heart Association guideline reclassified office blood pressure and proposed thresholds for ambulatory blood pressure (ABP).

We derived outcome-driven ABP thresholds corresponding with the new office blood pressure categories. We performed 24-hour ABP monitoring in 11 152 participants (48.9% women; mean age, 53.0 years) representative of 13 populations. We determined ABP thresholds resulting in multivariable-adjusted 10-year risks similar to those associated with elevated office blood pressure (120/80 mm Hg) and stages 1 and 2 of office hypertension (130/80 and 140/90 mm Hg).

Outcome-driven ABP thresholds corresponding to elevated blood pressure and stages 1 and 2 of hypertension are similar to those proposed by the current American College of Cardiology/American Heart Association guideline.
A vast amount of SNPs derived from genome-wide association studies are represented by non-coding ones, therefore exacerbating the need for effective identification of regulatory SNPs (rSNPs) among them. However, this task remains challenging since the regulatory part of the human genome is annotated much poorly as opposed to coding regions. Here we describe an approach aggregating the whole set of ENCODE ChIP-seq data in order to search for rSNPs, and provide the experimental evidence of its efficiency. Its algorithm is based on the assumption that the enrichment of a genomic region with transcription factor binding loci (ChIP-seq peaks) indicates its regulatory function, and thereby SNPs located in this region are more likely to influence transcription regulation. To ensure that the approach preferably selects functionally meaningful SNPs, we performed enrichment analysis of several human SNP datasets associated with phenotypic manifestations. It was shown that all samples are significantly enriched with SNPs falling into the regions of multiple ChIP-seq peaks as compared with the randomly selected SNPs. For experimental verification, 40 SNPs falling into overlapping regions of at least 7 TF binding loci were selected from OMIM. The effect of SNPs on the binding of the DNA fragments containing them to the nuclear proteins from four human cell lines (HepG2, HeLaS3, HCT-116, and K562) has been tested by EMSA. A radical change in the binding pattern has been observed for 29 SNPs, besides, 6 more SNPs also demonstrated less pronounced changes. Taken together, the results demonstrate the effective way to search for potential rSNPs with the aid of ChIP-seq data provided by ENCODE project.
Using a 1 --> 2 transition as an analytically tractable model, we discuss in detail magneto-optical resonances of both electromagnetically induced absorption (EIA) and electromagnetically induced transparency (EIT) types in the Hanle configuration. The analysis is made for an arbitrary rate of depolarizing collisions in the excited state and an arbitrary elliptical field polarization. The obtained results clearly show that the main reason for the EIA subnatural resonance is the spontaneous transfer of anisotropy from the excited level to the ground level. In the EIA case we predict the negative structures in the absorption resonance at large field detuning. The role of the finite atom-light interaction time is briefly discussed. In addition we study nontrivial peculiarities of the resonance line shape related to the velocity spread in a gas.