bluuebunny/crossref_metadata_2025_split huggingface dataset:
Precise equilibrium structure determination of thiophene (c-C4H4S) by rotational spectroscopy—Structure of a five-membered heterocycle containing a third-row atom
Authors: Orr Vanessa L. , Ichikawa Yotaro , Patel Aatmik R. , Kougias Samuel M. , Kobayashi Kaori , Stanton John F. , Esselman Brian J. , Woods R. Claude , McMahon Robert J. 
Published: June 2021

The rotational spectrum of thiophene (c-C4H4S) has been collected between 8 and 360 GHz. Samples of varying deuterium-enrichment were synthesized to yield all possible deuterium-substituted isotopologues of thiophene. A total of 26 isotopologues have been measured and least-squares fit using A- and S-reduced distorted-rotor Hamiltonians in the Ir representation. The resultant rotational constants (A0, B0, and C0) from each reduction were converted to determinable constants (A″, B″, and C″) to remove the impact of centrifugal distortion. The computed vibrational and electron mass corrections [CCSD(T)/cc-pCVTZ] were applied to the determinable constants to obtain semi-experimental equilibrium rotational constants (Ae, Be, and Ce) for 24 isotopologues. A precise semi-experimental equilibrium (reSE) structure has been achieved from a least-squares fit of the equilibrium moments of inertia. The combination of the expanded isotopologue rotational data with high-level computational work establishes a precise reSE structure for this sulfur-containing heterocycle. The CCSD(T)/cc-pCV5Z structure has been obtained and corrected for the extrapolation to the complete basis set, electron correlation beyond CCSD(T), relativistic effects, and the diagonal Born–Oppenheimer correction. The precise reSE structure is compared to the resulting “best theoretical estimate” structure. Several of the best theoretical re structural parameters fall within the narrow statistical limits (2σ) of the reSE results. The possible origin of the discrepancies for the computed parameters that fall outside the statistical uncertainties is discussed.
Mass-immigration determines the assembly of activated sludge microbial communities
Authors: Dottorini Giulia , Michaelsen Thomas Yssing , Kucheryavskiy Sergey , Andersen Kasper Skytte , Kristensen Jannie Munk , Peces Miriam , Wagner Dorottya Sarolta , Nierychlo Marta , Nielsen Per Halkjær 
Published: June 2021

Significance
Wastewater treatment plants are engineering technologies used worldwide to protect the environment and human health. Microbial communities sustain these plants, so it is crucial to know the key factors responsible for the community assembly. We show, in contrast to existing understanding, that microbial immigration largely controls the community structure in these plants and that the fate (growth or death) of immigrating species in the plants is controlled by local factors. The community structure was quantitatively predicted by the immigrating microbial community, highlighting the need to revise the way we today understand, design, and manage microbial communities in wastewater treatment plants.
Deep representation learning improves prediction of LacI-mediated transcriptional repression
Authors: Garruss Alexander S. , Collins Katherine M. , Church George M. 
Published: June 2021

Significance
The understanding of protein function increases with new experimental and evolutionary datasets. A major challenge is to apply machine learning to these datasets to capture essential features of protein function. Here, we analyze the experimentally determined repression function for tens of thousands of mutants of the LacI protein. This study provides a continuous, noncategorical repression value across a majority of all single mutations and for thousands of higher-order mutations. To develop a top-performing model for the prediction of repression by LacI, we compare several leading variant effect prediction algorithms. A deep representation learning paradigm, first trained across millions of proteins from all known protein families and then fine-tuned using LacI experimental data, offers the highest predictive performance of repression function.
Neutrophil-to-lymphocyte ratio (NLR) and platelet-to-lymphocyte ratio (PLR) in Ménière’s disease and vestibular neuritis
Authors: Quaranta Nicola A.A. , Salzo Anna E. , Pontillo Vito , Scarano Emanuele , Sergi Bruno , Picciotti Pasqualina M. 
Published: June 2021

Objective
several hypothesis including viral infection, vascular disturbance, and immune-mediated mechanisms have been proposed in Menière disease (MD) and vestibular neuritis (VN) and the role of inflammation has been also investigated. To evaluate the role of neutrophil to lymphocyte ratio (NLR), platelet-to-lymphocyte ratio (PLR) and metabolic parameters in MD and VN patients.

Methods
we retrospectively studied 120 subjects (40 affected by MD, 40 by VN and 40 normal controls). We analyzed glycaemia, Haematocrit Blood Test (HCT), leukocytes, neutrophils, lymphocytes, platelets, cholesterol, prothrombin time and the related international normalized ratio (PT-INR), fibrinogen, erythrocyte sedimentation rate (ESR), NLR and PLR.

Results
Neutrophils, leukocytes, cholesterol, ESR, NLR and PLR values of MD patients are significantly higher than normal controls. Higher significant values are reported for glycaemia, neutrophils, lymphocytes, leucocyte, fibrinogen, ESR, NLR and PLR in VN patients compared to NC.

Conclusions
High levels of NLR and PLR indicate the presence of an acute inflammatory state in both MD and VN. Our data confirm the role of proinflammatory state leading to microvascular injury together with risk factors for atherogenesis.
Key comparison BIPM.RI(I)-K4 of the absorbed dose to water standards of the ARPANSA, Australia and the BIPM in 60Co gamma radiation
Authors: Kessler C , Burns D , Oliver C , Bailey T , Harty P , Butler D 
Published: June 2021

Main text
A new key comparison of the standards for absorbed dose to water of the Australian Radiation Protection and Nuclear Safety Agency (ARPANSA), Australia and the Bureau International des Poids et Mesures (BIPM) was carried out in the 60Co radiation beam of the BIPM in November 2020. The comparison result, based on the calibration coefficients for two transfer chambers and evaluated as a ratio of the ARPANSA and the BIPM standards for absorbed dose to water, is 0.9995 with a combined standard uncertainty of 5.1 parts in 103. The result agrees within the uncertainties with the comparison carried out in 2010. The results are analysed and presented in terms of degrees of equivalence, suitable for entry in the BIPM key comparison database.
To reach the main text of this paper, click on Final Report. Note that this text is that which appears in Appendix B of the BIPM key comparison database https://www.bipm.org/kcdb/.
The final report has been peer-reviewed and approved for publication by the CCRI, according to the provisions of the CIPM Mutual Recognition Arrangement (CIPM MRA).
Levitation, oscillations, and wave propagation in a stratified fluid
Authors: Carpineti Marina , Croccolo Fabrizio , Vailati Alberto 
Published: June 2021

Abstract
We present an engaging levitation experiment that students can perform at home or in a simple laboratory using everyday objects. A cork, modified to be slightly denser than water, is placed in a jug containing tap water and coarse kitchen salt delivered at the bottom without stirring. The salt gradually diffuses and determines a stable density stratification of water, the bottom layers being denser than the top ones. During the dissolution of salt, the cork slowly rises at an increasing height, where at any instant its density is balanced by that of the surrounding water. If the cork is gently pushed off its temporary equilibrium position, it experiences a restoring force and starts to oscillate. Students can perform many different measurements of the phenomena involved and tackle non-trivial physical issues related to the behaviour of a macroscopic body immersed in a stratified fluid. Despite its simplicity, this experiment allows to introduce various theoretical concepts of relevance for the physics of the atmosphere and stars and offers students the opportunity of getting acquainted with a simple system that can serve as a model to understand complex phenomena such as oscillations at the Brunt–Väisälä frequency and the propagation of internal gravity waves in a stratified medium.
Linear multi-photon storage based on dark modes with frequency tuning
Authors: Xu Shuang , Gong Wei-Jiang , Shen H Z , Yi X X 
Published: June 2021

Abstract
We propose a quantum memory applicable to the optical regime based on a linear system. The system is in a symmetrical star configuration: one central mode is both connected to the input–output channel and uniformly coupled to a number of modes with tunable frequencies. We show that, as long as the number of these tunable modes is double an odd number, such a configuration is just flexible enough to perform the storage and on-demand recall of a number of individual photons. Tuning of the mode frequencies is feasible experimentally by means of adiabatic frequency tuning, and we show the system is scalable and robust against various type of imperfections. Moreover, the linearity of the system is compatible with the use of single-mode continuous-variable error correction code. Our results therefore provide a promising approach to the storage of many photons carrying protected quantum information.
Gravitational-wave cosmological distances in scalar-tensor theories of gravity
Authors: Tasinato Gianmassimo , Garoffolo Alice , Bertacca Daniele , Matarrese Sabino 
Published: June 2021

Abstract
We analyze the propagation of high-frequency gravitational waves (GW) in scalar-tensor theories of gravity, with the aim of examining properties of cosmological distances as inferred from GW measurements. By using symmetry principles, we first determine the most general structure of the GW linearized equations and of the GW energy momentum tensor, assuming that GW move with the speed of light. Modified gravity effects are encoded in a small number of parameters, and we study the conditions for ensuring graviton number conservation in our covariant set-up. We then apply our general findings to the case of GW propagating through a perturbed cosmological space-time, deriving the expressions for the GW luminosity distance dL
(GW) and the GW angular distance dA
(GW). We prove for the first time the validity of Etherington reciprocity law dL
(GW) = (1+z)2 dA
(GW) for a perturbed universe within a scalar-tensor framework. We find that besides
the GW luminosity distance, also the GW angular distance can be modified with respect to General Relativity. We discuss implications of this result for gravitational lensing, focussing on time-delays of lensed GW and lensed photons emitted simultaneously during a multimessenger event. We explicitly show how
modified gravity effects compensate between different coefficients in the GW time-delay formula: lensed GW arrive at the same time as their lensed electromagnetic counterparts, in agreement with causality constraints.
Beyond perturbation theory in inflation
Authors: Celoria Marco , Creminelli Paolo , Tambalo Giovanni , Yingcharoenrat Vicharit 
Published: June 2021

Abstract
Inflationary perturbations are approximately Gaussian and deviations from Gaussianity are usually calculated using in-in perturbation theory. This method, however, fails for unlikely events on the tail of the probability distribution: in this regime non-Gaussianities are important and perturbation theory breaks down for |ζ| ≳ |f
NL|-1. In this paper we show that this regime is amenable to a semiclassical treatment, ħ → 0. In this limit the wavefunction of the Universe can be calculated in saddle-point, corresponding to a resummation of all the tree-level Witten diagrams. The saddle can be found by solving numerically the classical (Euclidean) non-linear equations of motion, with prescribed boundary conditions. We apply these ideas to a model with an inflaton self-interaction ∝λζ̇4. Numerical and analytical methods show that the tail of the probability distribution of ζ goes as exp(-λ-1/4ζ3/2), with a clear non-perturbative dependence on the coupling. Our results are relevant for the calculation of the abundance of primordial black holes.
A test of cosmic distance duality relation using SPT-SZ galaxy clusters, Type Ia supernovae, and cosmic chronometers
Authors: Bora Kamal , Desai Shantanu 
Published: June 2021

Abstract
We carry out a test of the cosmic distance duality relation using a sample of 52 SPT-SZ clusters, along with X-ray measurements from XMM-Newton. To carry out this test, we need an estimate of the luminosity distance (DL) at the redshift of the cluster. For this purpose, we use three independent methods: directly using DL from the closest Type Ia Supernovae from the Union 2.1 sample, non-parametric reconstruction of DL using the same Union 2.1 sample, and finally using H(z) measurements from cosmic chronometers and reconstructing DL using Gaussian Process regression. We use four different functions to characterize the deviations from CDDR. All our results for these (4 × 3) analyses are consistent with CDDR to within 1σ.
Some Mechanical and Physical Studies of Granitic Rocks in Um Taghir, Eastern Desert, Egypt
Authors: Awad H A M , Nastavkin A V 
Published: June 2021

Abstract
Granitic rock is considered one of the most important economic materials used as building materials, ornamental stones, and other purposes. According to previous radiological studies conducted on these granites, it was found that the activity concentrations of 238U, 232 Th and 40 K of these granitic rocks are natural as well as the radiation effects are not harmful due to the natural radioactivity of the examined granites so that it can be exploited economically in the future.The current study aims to determine some of the physical and mechanical properties of granites in the Um Taghir area to detect these rocks’ suitability for ornamental stones. The samples of the granitic rocks were cut according to the American Society for Testing and Materials specifications (cubic shape) for the detection of uniaxial compressive strength in addition to some of the physical properties were determined for each sample. Granite rock samples showed good results according to mechanical and physical tests. So that it can be extracted, transported and later used for various economic purposes.
Invariant Procedure for Error Sensitivity Analysis Applied to Cyclic Creep Modelling
Authors: Kaygorodtseva A A , Zakharchenko K V , Kapustin V I , Shutov A V 
Published: June 2021

Abstract
Cyclic creep, also known as ratcheting, is a progressive accumulation of inelastic strain under cyclic stress-controlled loading. This mechanical effect is of great importance for numerous applications. In engineering practice, phenomenological models of cyclic creep are calibrated against a limited set of macroscopic test data. Since the testing results are prone to systematic and non-systematic experimental errors, the impact of experimental errors on the quality of simulation has to be analysed. A simple inspection procedure is demonstrated and tested. Based on the Monte Carlo computations, it allows for analysis of error propagation through the simulation cycle. The focus of the paper is on the independence of the procedure from the chosen model parametrization. For demonstration purposes, cyclic creep of VT6 alloy is simulated. The corresponding macroscopic constitutive equations are based on the second Ohno-Wang model, combined with refined rule of isotropic hardening. Two different parametrizations are introduced to show that the procedure predicts the same results for both of them.
Analysis of Residual Stress Distribution in Rods after Drawing Process with Regard to Process Variables
Authors: Kuznetsova E V , Kolmogorov G L , Evsina A V 
Published: June 2021

Abstract
Currently, many researchers pay attention to studying the influence of process variables on the quality of metal products after manufacture. The most common methods of metalworking are forming processes, in which a high degree of deformation, uneven plastic deformation, and elevated temperatures are utilized. In most cases of manufacturing using these methods, a self-balanced system of residual stresses is formed that significantly affects the accuracy, strength, durability, reliability, corrosion resistance, and fatigue strength of machine parts after manufacture and processing. At the same time, the level of technological residual stresses depends on the main process variables. And in this regard, the analysis of the residual stress calculation for the deformation of rods will identify the effect of process variables, mechanical properties of the material, the geometry of the workpiece on the level and distribution of formed residual stresses. The object of the study is distributions of residual stresses formed after plastic deformation in rods and wire. In the work, experimental data on the distribution of residual stresses in rods after drawing were investigated. The residual stress calculation method takes into account parameters of technology, geometry and mechanical constants of material. Dependencies of axial and circumferential residual stresses in steel rods and wires after drawing were found.
Vertical Density Inhomogeneity of Kama Reservoir Water Masses in the Region of Berezniki: Possible Genesis and Influence on the Stability of Water Use
Authors: Lepikhin A P , Lyubimova T P , Bogomolov A V , Lyakhin Yu S , Tiunov A A , Yu Kolchanov V , Parshakova Ya N 
Published: June 2021

Abstract
The stability of water supply systems is one of the main factors that determine the reliability of the functioning of large industrial complexes. This problem is considered on the example of the “Azot” branch of URALCHEM JSC in the city of Berezniki, which takes fresh industrial water from the Kama river (Kama reservoir). A specific feature of this water body is the significant variability of its hydrological regime. During the summer dry season, it is characterized by low flow velocities. In winter, with a decrease in the water level in the reservoir, a typical river regime is observed. In addition, there is a strong technogenic impact on the water body. The impact is formed largely due to non-declared dispersed (diffuse) sources. Their characteristic feature is high mineralization and, accordingly, the density of the formed wastewater. Their behavior is fundamentally different from the processes of dilution and migration of effluents with neutral buoyancy. A two-layer structure is formed, when the content of the main ions in the surface horizon is more than an order of magnitude less than in the bottom layer. This circumstance must be taken into account when assessing the reliability of the functioning of water intakes. The most effective tool for solving such problems is the conjugation of a complex of field monitoring observations with computational experiments using hydrodynamic models in one-, two- and three-dimensional formulations.
Double-Diffusive Convection in the Continuous Flow Microreactors
Authors: Mizev A I , Mosheva E A , Shmyrov A V 
Published: June 2021

Abstract
In this paper, the mixing process of two solutions of inorganic salts in a continuous flow channel with Y-type micromixer is investigated. Due to different diffusivity rates of solutes the double-diffusion convection develops in the channel. To visualize convective flows and the distribution of mixing substances the shear interferometer technique and a fluorescent dye are used. The latter makes it possible to quantify the mixing degree. The mixing extent for different volume flow rates is calculated. The comparison of convection and pure diffusion mechanisms of mixing is provided.
Capillary Wave-Detection Algorithm Based on Cylindrical Solitary Waves
Authors: Mizeva I 
Published: June 2021

Abstract
In multiphase systems the thermodynamic and rheological properties of the interfacial layer have influences on the overall system behavior. The geometrical properties of capillary waves are extremely useful in the characterization of surface parameters. In Shmyrov et al 2019, the modified capillary wave technique was successfully used to perform experiments, to register surface profiles and to realize data processing, yet the algorithm for semi-manual data processing proposed by the authors is labor-intensive and time-consuming. It appears that the analysis of the data is compex because of specific geometry problems, presence of noise at different scales, and data gaps. In this study, the algorithm for analysis of a surface instantaneous profiles formed due to capillary waves propogating is proposed. It was found that the noise and the useful signal have different scales. Moreover, the structure of the useful signal is defined, and therefore it becomes possible to study the noise part of the signal and the patterns of the useful signals. On the basis of the preliminary knowledge about the signal structure, the algorithm has been developed to overcome the above mentioned problems. The proposed method has been tested on the set of semi-synthetic data and provides a reliable result.
Influence of Thermal Limiters on the Formation of the Dendritic Structure of the Welded Stainless Steel Layer
Authors: Chinakhov D A , Akimov K O , Dubrovskiy A S , Ilyaschenko D P 
Published: June 2021

Abstract
In the work the influence of thermal limiters on the formation of a dendritic structure of the stainless steel AISI 304L layer deposited by electric arc welding in argon medium was investigated. The structure of the billets was investigated in the mode of differential interference contrast. The analysis of the obtained structures showed that the use of thermal limiters in the form of graphite skids allows to obtain a uniform structure in billets without sharp transitions between the deposited layers.
Study on the Resonant Torsion Vibration in Hourglass Specimens under VHCF Loading
Authors: Nikitin I S , Nikitin A D , Stratula B A 
Published: June 2021

Abstract
The problem of cyclic loading under pure torsion is an important problem for numerous different industrial applications, such as shafts, springs, blades, and others. The loading conditions for aircraft, railway, automobile industries are often corresponding to long fatigue life. The rough estimation shows that the number of cycles for springs in car engine is exceeds 108 cycle while blades for aircraft turbine may undergo more than 1010 loading cycles. Such, to provide a safety in service life for such elements a multiaxial fatigue failure criterion is needed to predict damage zone location and fatigue life. This paper is aimed to introduce the multi regime approach to predict fatigue damage zone evaluation and number of cycles to crack initiation and total fatigue life. The presented approach is based on damage theory supplemented by multiaxial failure criterion. The proposed model includes the algorithm for automatic determination the fatigue loading range (low-, high- or very-high cycle fatigue) and allows different crack opening modes. To show how to apply the proposed approach and verify the results of calculation the series of numerical simulation on hourglass specimen subjected to VHCF pure torsion is performed. The results of numerical simulation are compared to VHCF torsion tests.