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Досліджено сучасний стан виробництва кукурудзи в Україні та світі, її значення, як однієї з головних експортних культур. Показано вплив застосування фунгіцидів на розвиток основних хвороб кукурудзи по таких фазах розвитку: 12 листків, фаза цвітіння, фаза воскової стиглості зерна. Чотириразове внесення фунгіцидів дозволило зменшити відсоток рослин уражених плямистостями на 15,2-15,3% відносно контролю у фазі воскової стиглості зерна. Відсоток рослин уражених іржею склав 20,2 у варіанті з триразовою обробкою препаратами. Чотириразове застосування фунгіцидів дозволило зупинити розвиток фузаріозу качана на рівні 12,9 %, проти 26,3% на контрольному варіанті. Починаючи з дворазового обприскування препаратами відсоток уражених рослин складав не більше 21,5%. Наведено дані про вплив застосування фунгіцидів на врожайність кукурудзи залежно від терміну та кратності обробок рослин. Визначено, що кратність обробок фунгіцидами у різні фази розвитку рослин має вплив на формування врожаю кукурудзи. Зі збільшенням кратності обприскувань отримували вищий врожай. Одноразове застосування фунгіцидів дозволило отримати на 0,5-1,04 т/га зерна більше відносно контролю, дворазове – 1,35-2,04 т/га. Найвищий приріст врожайності +3,4 т/га забезпечив варіант з чотириразовим внесенням фунгіцидів у фазах 10 листків + викидання волоті + після цвітіння + налив зерна. У варіанті з трьохразовою обробкою (викидання волоті + після цвітіння + налив зерна) отримали +3,13 та +2,69 т/га до контролю залежно від термінів застосування. Варіанти з пізнішими термінами внесення фунгіцидів забезпечували вищий приріст врожаю зерна кукурудзи порівняно із ранніми термінами (10 листків). Досліджено, що вміст мікотоксинів (фумонізин В1, Т-2 токсин, зеараленон та дезоксиніваленол - ДОН) у зерні кукурудзи не перевищує граничні межі у жодному з варіантів та знижується зі збільшенням кратності обробок фунгіцидами.

The Capillary Heavy Ion MeV-SIMS Probe (CHIMP) at ETH Zürich has been redesigned with a second mass spectrometer and symmetric extraction to enable simultaneous analysis of positive and negative secondary ions. Secondary electrons are deflected within the negative spectrometer and detected independently. The fast secondary electron signal is used as a start signal for both Time-of-Flight mass spectrometers. The new setup enables the simultaneous acquisition and analysis of both secondary ion polarities emitted under identical conditions from the same sample location. This allows to study correlations between secondary ions of different polarities emitted from a single primary ion impact. Measurements with small primary Cn cluster ions show the influence of cluster size on the multiplicity of secondary ion emission. Furthermore, a cluster effect in the ratio between positive and negative ion yields of corresponding secondary ion species is identified, with the ratio approaching parity for larger cluster sizes n., Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 507, ISSN:0168-583X, ISSN:1872-9584

Crystalline solids that exhibit inherently low lattice thermal conductivity (κlat) have attracted a great deal of attention because they offer the only independent control for pursuing a high thermoelectric figure of merit (ZT). Herein, we report the successful preparation of CsCu4Q3 (Q = S (compound 1), Se (compound 2)) with the aid of a safe and facile boron-chalcogen method. The single-crystal diffraction data confirm the P4/mmm hierarchical structures built up by the mixed-valence [(Cu+)4(Q2-)2](Q-) double anti-CaF2 layer and the NaCl-type Cs+ sublattice involving multiple bonding interactions. The electron-poor compound CsCu4Q3 features Cu-Q antibonding states around EF that facilitates a high σ value of 3100 S/cm in 2 at 323 K. Significantly, the ultralow κlat value of 2, 0.20 W/m/K at 650 K (70% lower than that of Cu2Se), is mainly driven by the vibrational coupling of the rigid double anti-CaF2 layer and the soft NaCl-type sublattice. The hierarchical structure increases the bond multiplicity, which eventually leads to a large phonon anharmonicity, as evidenced by the effective scattering of the low-lying optical phonons to the heat-carrying acoustic phonons. Consequently, the acoustic phonon frequency in 2 drops sharply from 118 cm-1 (of Cu2Se) to 48 cm-1. In addition, the elastic properties indicate that the hierarchical structure largely inhibits the transverse phonon modes, leading to a sound velocity (1571 m/s) and a Debye temperature (189 K) lower than those of Cu2Se (2320 m/s; 292 K).

Brands come in many forms and perform multiple roles and functions for a variety of different types of individuals and organizations. Focusing on companies or non-profits marketing to consumers, this essay speculates on the future of branding in five main areas: brand elements, brand drivers, brand meaning, consumer heterogeneity, and consumer insights. Across these five areas, the main theme that emerges is that branding is increasingly being defined both by multiplicity, in terms of what marketers can do, and by heterogeneity, in terms of the consumers being marketed to. Successful brand marketers going forward will be those who can find integrative branding solutions that balance and blend multiplicity and heterogeneity.

Voronoi–Dirichlet (VD) polyhedra are used to analyze the structures of compounds that contain coordination polyhedra AnTen (An = Th, U, Np, Pu, Am, or Cm) in their crystal structures. It is found that tellurides contain An(III), An(IV), and U(V) atoms that coordinate 6 to 9 tellurium atoms. The described VD polyhedra of An and Te atoms demonstrate the possibility of using data on crystal structure to estimate the multiplicity of Te–Te bonds and the formal charge on tellurium atoms. The most important characteristics of homoatomic structural moieties (including linear and zig-zag chains formed by tellurium atoms) are discussed. It is shown that the formal charge (−1, −1.25, or −1.5) of tellurium atoms in linear chains is predetermined by the proportion of Te− to Te2− ions arranged statistically along the chain axis. It is established that all tellurides built from zig-zag chains of tellurium atoms contain U(V) atoms.

We consider a nonlinear boundary value problem with degenerate nonlocal term depending on the L q -norm of the solution and the p-Laplace operator. We prove the multiplicity of positive solutions for the problem, where the number of solutions doubles the number of “positive bumps” of the degenerate term. The solutions are also ordered according to their L q -norms.

Heme oxygenase-1 (HO-1) is an inducible stress protein that degrades heme to carbon monoxide, iron and biliverdin, which subsequently reduces to bilirubin. Many parameters of verdoheme–rat heme oxygenase complex structure and their role and function on heme degradation were unknown. In this work the structure of iron verdoheme in complex with rat heme oxygenase was studied by density functional theory based B3LYP method and 6-31G basis set. The main goal is to obtain structural and energetic information for various transition states and intermediates on reaction pathways. The charge of verdoheme and iron as the central metal, electron distribution, spin multiplicity of the molecule and proximal substituents effect on the verdoheme ring stabilization and their arrangement are discussed. Gas phase computation has shown that the central metal of the five coordinated rat-verdohemeas ferrous (Fe[Formula: see text] (from 1a-1i) and ferric (Fe[Formula: see text] (from 1j–1q). The Mulliken and NBO charge and spin calculation show that iron is considered as ferrous in all of the optimized structures. Assessment results can gain valuable chemical insight into the electronic reorganization during the reactions.

This paper presents some general characteristics of totally disintegrated events observed in the interactions of Silicon and Carbon with Ag/Br nuclei. The events with heavy particle multiplicity greater than or equal to twenty-eight, i. e., Nh ≥ 28 were analyzed. The probability of occurrence of central collision events is found to increase with the mass of the projectile and total projectile energy. The multiplicity distributions are described quite well by a Gaussian curve. The variation in the mean multiplicity of grey, black, heavy, and shower particles with projectile mass is being discussed. Average compound particle multiplicity is found to increase with the mass of the projectile.

This paper is concerned with the following fractional Schrodinger–Poisson system: {(−Δ)αu+Vλ(x)u+μϕu=f(x,u)+β(x)|u|ν−2uinR3,(−Δ)tϕ=u2inR3, where μ>0 is a parameter, α,t∈(0,1), ν∈(1,2), 2α+2t>3, Vλ ...

The security of quantum cryptography is based on microscopic quantum properties, which is much higher than that of classical cryptography. In this paper, we combine the proxy threshold multiple signature with quantum signature in classical cryptography, which not only retains the agent property, threshold property, multiplicity and forward property of the original scheme, but also makes the scheme have the security of quantum signature. So it is a secure and practical signature scheme.

Semi-empirical PM3 calculations are made for the electronic absorption spectra of colored forms of nonmethylated anthocyanidins (aurantinidin, pelargonidin, cyanidin, and delphinidin). The position of the absorption band peak is shown to depend on the orientation of hydroxyl groups in the aglycone structure. The observed tendency toward a bathochromic shift after ОН groups are added to the ring generally corresponds to experimental data. The results for the uncharged quinonoid forms of pelargonidin (a hypsochromic shift of absorption bands) do not in this case agree with the prevailing opinion of specialists about the bathochromic shift. While this opinion is confirmed by DFT calculations, there are still no reliable experimental data on their validity. The formation of single-charged (negatively) quinonoid structures is clearly the reason for the bathochromic shift of absorption bands, which is consistent with the experimental data. When the charge multiplicity increases (to −2), a hypsochromic shift of absorption bands to the experimentally observed yellow color of anthocyanins in alkaline solutions is again predicted.

The structural features of eleven mononuclear octahedral monooxo [d2-Re(V)] complexes $$\left[ {{\text{ReO}}\left( {{\text{L}}_{{{\text{penta}}}}^{n}} \right)} \right]$$ with pentadentate chelate ligands (3О, 2N), (2O, 3N), (2O, 2N, P), (2O, 2N, S), and (O, 2N, 2S) have been discussed. The О $$\left( {{\text{L}}_{{{\text{penta}}}}^{n}} \right)$$ atoms are always located in trans positions to multiply bonded O(oxo) ligands. It has been found that in nine compounds with negatively charged oxygen atoms of ligands $${\text{L}}_{{{\text{penta}}}}^{n}$$ in trans positions to multiply bonded O(oxo) ligands, the Re–O(L)trans bonds (1.960–2.065 A) are comparable in length, somewhat longer or noticeably shorter than Re–O(L)cis (1.952–2.140 A). These Re–O(L) bonds in trans positions to oxo ligands can be considered as having an increased multiplicity, since they are comparable in length (rather than elongated because of the structural manifestation of the trans-effect of the oxo ligand) with the Re–O(L)cis distances. In this case, we can speak of pseudodioxo complexes containing two ligands (O(oxo) and O(Ltrans)) with an increased order of the Re–O bonds (~2.5 and ~1.5 A, respectively). In the other two complexes, the Re–O(Lpenta)trans bonds (2.200 and 2.252 A) are significantly elongated. In these two cases, we should talk about the structural manifestation of the trans-effect of the multiply linked oxo ligand.

In force-field methods, the usage of off-center point charges, also called extra points (EPs), is a common strategy to tackle the anisotropy of the electrostatic potential of covalently bonded halogens (X), thus allowing the description of halogen bonds (XBs) at the molecular mechanics/molecular dynamics (MM/MD) level. Diverse EP implementations exist in the literature differing on the charge sets and/or the X-EP distances. Poisson-Boltzmann and surface area (PBSA) calculations can be used to obtain solvation free energies (ΔGsolv) of small molecules, often to compute binding free energies (ΔGbind) at the MM-PBSA level. This method depends, among other parameters, on the empirical assignment of atomic radii (PB radii). Given the multiplicity of off-center point-charge models and the lack of specific PB radii for halogens compatible with such implementations, in this work, we assessed the performance of PBSA calculations for the estimation of ΔGsolv values in water (ΔGhyd), also conducting an optimization of the halogen PB radii (Cl, Br, and I) for each EP model. We not only expand the usage of EP models in the scope of the general AMBER force field (GAFF) but also provide the first optimized halogen PB radii in the context of the CHARMM general force field (CGenFF), thus contributing to improving the description of halogenated compounds in PBSA calculations.

The goal of this study is to provide insight into the mechanism of the oxygen reduction reaction (ORR) on N-doped graphene surfaces. Using density functional theory and a computational hydrogen electrode model, we studied the energetics of the ORR intermediates, the effect of the position of the reaction site, and the effect of the position of the N modification relative to the active site on model graphene surfaces containing one or two N atoms. We found that scaling relations can be derived for N-doped graphenes as well, but the multiplicity of the surface should be taken into account. On the basis of the scaling relations between intermediates OOH* and OH*, the minimal overpotential is 0.33 V. Analysis of the data showed that N atoms in the meta position usually decrease the adsorption energy, but those in the ortho position aid the adsorption. The outer position on the zigzag edge of the graphene sheet also promotes the adsorption of oxygenated species, while the inner position hinders it. Looking at the most effective active sites, our analysis shows that the minimal overpotential can be approached with various doping arrangements, which also explains the contradicting results in the literature. The dissociative pathway was also investigated, but we found only one possible active site; therefore, this pathway is not really viable. However, routes not preferred thermodynamically pose the possibility of breaking the theoretical limit of the overpotential of the associative pathway.

The existence and multiplicity of T-periodic solutions to a class of differential equations with attractive singularities at the origin are investigated in the paper. The approach is based on a new method of construction of strict upper and lower functions. The multiplicity results of Ambrosetti–Prodi type are established using a priori estimates and certain properties of topological degree.

Although fullerenes were discovered nearly 35 years ago, scientists still struggle to isolate "single molecule" tubular fullerenes larger than C90. In similar fashion, there is a paucity of reports for pristine single-walled carbon nanotubes (SWNTs). In spite of Herculean efforts, the isolation and properties of pristine members of these carbonaceous classes remain largely unfulfilled. For example, the low abundance of spherical and tubular higher fullerenes in electric-arc extracts (

The propagation of compound plasmon-polariton (CPP) waves was investigated for the canonical boundary-value problem involving a metal film sandwiched between a homogeneous uniaxial dielectric mater...

Luminescence semiconductor quantum dots (QDs) offer a rather new type of luminescent labels used for the visual and instrumental determination of analytes in various versions of chemical analysis. The high quantum yield, photostability, narrow emission spectra, and wide excitation regions of these species make them ideal labels for analysis and ensure the development of procedures for the simultaneous determination of several substances and the attainment of low limits of detection. The widespread introduction of QDs in analytical practice is limited by the multistage character and laboriousness of some approaches to the synthesis of QDs and reagents on their basis, their trend to nonspecific interactions, and a probability of fluorescence reabsorption at the improper selection of the concentration of QDs. The review covers the main approaches to the synthesis, modification, and use of luminescence QDs in chemical analysis. Approaches to the sensitization and multiplicity of analysis and methods for regulating selectivity based on both the properties of QDs and, in addition, the receptors used are discussed.

The gas-containing nanobubbles have attracted extensive attention due to their remarkable properties and extensive application potential. However, a number of fundamental aspects of nanobubbles, including thermodynamic states for the confined gas, remain still unclear. Here we theoretically demonstrate that the van der Waals (vdW) gases confined in nanobubbles exhibit a unique thermodynamic state of remarkably deviating from the bulk gas phase, and the state transition behavior due to the size-dependent Laplace pressure. In general, the vdW gas inside nanobubbles present multiple stable or transient states, where 0–2 states are for supercritical gas and 0–4 for subcritical gas. Our further analysis based on Rayleigh–Plesset equation and free energy determination indicates that the gas states in nanobubbles exhibits different levels of stability, from which the coexistence of multiple bubble states and microphase equilibrium between droplets and bubbles are predicted. This work provides insight to understand the thermodynamic states appeared for gas in nanobubbles.

Ruthenium-catalyzed cycloadditions to form five-, six-, and seven-membered rings are summarized, including applications in natural product total synthesis. Content is organized by ring size and reaction type. Coverage is limited to processes that involve formation of at least one C-C bond. Processes that are stoichiometric in ruthenium or exploit ruthenium as a Lewis acid (without intervention of organometallic intermediates), ring formations that occur through dehydrogenative condensation-reduction, σ-bond activation-initiated annulations that do not result in net reduction of bond multiplicity, and photochemically promoted ruthenium-catalyzed cycloadditions are not covered.

Scattering on an ultralow potential in an armchair graphene nanoribbon is studied. Using the continuous Dirac model and including a couple of artificial waves in the scattering process, described by an augmented scattering matrix, a condition is derived for the existence of a trapped mode. Threshold energies, where the multiplicity of the continuous spectrum changes, are considered, and it is shown that a trapped mode may appear for energies slightly less than a threshold and its multiplicity does not exceed one. For energies that are higher than a threshold, there are no trapped modes, provided that the potential is sufficiently small.

International audience; A model of two microbial species in a chemostat competing for a single resource in the presence of an internal inhibitor is considered. The model is a four-dimensional system of ordinary differential equations. Using general growth rate functions of the species, we give a complete analysis for the existence and local stability of all steady states. We describe the behavior of the system with respect to the operating parameters represented by the dilution rate and the input concentrations of the substrate. The operating diagram has the operating parameters as its coordinates and the various regions defined in it correspond to qualitatively different asymptotic behavior: washout, competitive exclusion of one species, coexistence of the species, bistability, multiplicity of positive steady states. This bifurcation diagram which determines the effect of the operating parameters, is very useful to understand the model from both the mathematical and biological points of view, and is often constructed in the mathematical and biological literature.

Oxygenations are highly exergonic, yet combustion of organic matter is not spontaneous in an atmosphere that is 21% O2. Electrons are fermions with a quantum spin number s of 1/2ħ. An orbital containing a single electron with s = 1/2 is fermionic. Orbitals can contain a maximum of two electrons with antiparallel spins, i.e., spin magnetic quantum numbers ms of 1/2 and -1/2. An orbital filled by an electron couple has s = 0 and bosonic character. The multiplicity of a reactant is defined as |2(S)| + 1 where S is the total spin quantum number. The Wigner spin conservation rules state that multiplicity is conserved. The transmission coefficient κ of absolute reaction rate theory also indicates the necessity for spin conservation. Burning is fermionic combustion that occurs when sufficient energy is applied to a bosonic molecule to cause homolytic bond cleavage yielding fermionic products capable of reaction with the bifermionic frontier orbitals of triplet multiplicity O2. Neutrophil leucocytes kill microorganisms by bosonic combustion and employ two mechanisms for changing the multiplicity of O2 from triplet to singlet. Microorganisms, composed of bosonic singlet multiplicity molecules, do not directly react with bifermionic O2, but are highly susceptible to electrophilic attack by bosonic electronically excited singlet molecular oxygen (1O2*). Hydride ion (H-) transfer is the common mode of cytoplasmic redox metabolism. Bosonic transfer of an orbital electron couple protects from damage by obviating fermionic reaction with bifermionic O2. Bosonic coupled electron transfer raises the consideration that quantum tunneling might be involved in facilitating such redox transfer.

The non-adiabatic electronic matrix elements, LΠΣ(R), that arise from the spin-conserving electron-rotational interactions between all mΣ+ and mΠ states, where multiplicity m = 1, 3, converging to the lowest three dissociation limits of Li-containing alkali diatomics, LiM (M = Na, K, Rb), were calculated ab initio up to large internuclear distances, R. The required electronic wavefunctions were obtained within the framework of the multi-reference configuration interaction treatment of the two-valence-electron problem constructed using small-core scalar-relativistic effective core potentials and l-independent core-polarization potentials. A least squares analysis of the ab initio functions at large internuclear distances in conjunction with long-range perturbation theory (LRPT) revealed three different asymptotic behaviors of the LΠΣ(R → +∞)-functions: const. + β[n]/Rn, characterized by n = -1, 3 and 6. The asymptotic coefficients β[n], extracted from the point-wise ab initio data, were found to be in agreement with their LRPT counterparts, which were evaluated analytically using the relevant atomic parameters. The mass dependence of the LΠΣ matrix elements was investigated analytically and numerically. To confirm the reliability of the LΠΣ(R)-functions and interatomic potentials at small and intermediate distances, the empirical q-factors available for the D1Π-states of all LiM molecules studied were compared with their theoretical counterparts derived from the present ab initio data.

A triphenyl-pentacarboxylic acid, 3,5-di(2′,4′-dicarboxylphenyl)benzoic acid (H5ddba), was applied as an adaptable linker for the hydrothermal assembly of eight new metal(II) coordination polymers (CPs) and complexes, formulated as [Cu2(μ-H3ddba)2(phen)2] (1), {[Cd2(μ4-Hddba)(phen)2(H2O)2]·2H2O}n (2), [M4(μ3-Hddba)2(2,2′-bipy)6(μ-H2O)]·6H2O (M = Ni (3), Mn (4)), {[Co2(μ5-Hddba)(μ-4,4′-bipy)1.5(H2O)]·H2O}n (5), {[Zn2(μ5-Hddba)(4,4′-bipy)1.5]·4,4′-bipy·2H2O}n (6), [Mn2(μ6-Hddba)(H2biim)(H2O)]n (7), and {[Cd2(μ7-ddba)(Hbpa)]·5H2O}n (8). The products 1–8 were generated from metal(II) chlorides, H5ddba, and various N-donor supporting ligands acting as mediators of crystallization (i.e., phen: 1,10-phenanthroline; 2,2′-bipy: 2,2′-bipyridine; 4,4′-bipy: 4,4′-bipyridine; H2biim: 2,2′-biimidazole; or bpa: bis(4-pyridyl)amine). All compounds were analyzed by standard methods (C/H/N analysis, FTIR, TGA and PXRD) including single-crystal X-ray diffraction. The structural multiplicity of 1–8 ranges from discrete dimers (1) or tetramers (3 and 4) to a 1D coordination polymer (2) and 3D metal–organic frameworks (5–8). Topological analysis of simplified H-bonded or metal–organic networks disclosed fcu (1), 2C1 (2), dia (3 and 4), sra (6), 3,4,7T3 (8), and unprecedented (5 and 7) topologies. The catalytic activity of 1–8 was investigated in a model Knoevenagel condensation between benzaldehydes and malononitrile, resulting in up to 99% yields of condensation products. The substrate scope, catalyst recycling, and effects of different reaction parameters were investigated. Finally, this work extends the use of H5ddba as an aromatic pentacarboxylate building block for the design of new metal–organic architectures with captivating structures and functional properties.

In this work, we calculate the local slip resistances (LSRs) in equal-molar MoNbTi multi-principal element alloy via molecular static simulations. We consider dislocations of either screw or edge character gliding on four types of slip planes, {110}, {112}, {123}, and {134}, in either forward or backward sense of the 111 slip direction. As references, we also compute the Peierls stresses of the same dislocations in two natural reference metals, Mo and Nb, and a synthetic one, the mean-field, A -atom potential-based MoNbTi. Further, we compare the LSRs with the corresponding ideal shear strengths that do not account for the lattice distortions induced by dislocation cores. We show that for neither dislocation character is the LSR on the {110} plane the lowest in MoNbTi, in contrast to Mo and Nb. For edge dislocations, slip on the {134} plane is the easiest, but for the screw dislocations, it is the hardest. For screw dislocations, the {112} glide plane is the most favored, while for edge dislocations, it is the least favored. We also find that the screw-to-edge ratio in the slip resistance is reduced by one order of magnitude in MoNbTi compared to that of any pure reference metal for the same type of slip plane. These results suggest that, in contrast to pure body-centered cubic (BCC) metals, BCC MPEAs could deform by a multiplicity of slip modes due to the lower screw-to-edge ratios and the lower LSRs for edge dislocations on the three higher order planes.

Two series of 2,5-di(butoxy)phenyleneethynylenes, one halogenated (nPEC4-X; n=2, 3, or 4) and the other boron-dipyrromethene (BODIPY) terminated (nPEC4-By; n=3, 4, or 5; By=BODIPY), were synthesized monodirectionally by the step-by-step approach and the molecular structure was corroborated by NMR spectroscopy (1 H, 13 C-DEPTQ-135, COSY, HSQC, HMBC, 11 B, 19 F) and MALDI-TOF mass spectrometry. The multiplicity and J-coupling constants of 1 H, 11 B, and 19 F/11 B NMR signals revealed, in the nPEC4-By series, that the phenyl in the meso position of BODIPY becomes electronically part of the conjugation of the phenyleneethynylene chain, whereas BODIPY is electronically isolated. The photophysical, electrochemical, and theoretical studies confirm this finding because the properties of nPEC4-By are comparable to those of the nPEC4-X oligomers and BODIPY, indicating negligible electron communication between BODIPY and the nPEC4 moieties. Nevertheless, energy transfer (ET) from nPEC4 to BODIPY was rationalized by spectroscopy and theoretical calculations. Its yield decreases with the nPEC4 conjugation length, according to the increase in distance between the two chromophores, resulting in dual emission for the longest oligomer in which ET is quenched.

The event-shape and multiplicity dependence of the chemical freeze-out temperature (Tch), freeze-out radius (R), and strangeness saturation factor (&gamma, s) are obtained by studying the particle yields from the PYTHIA8 Monte Carlo event generator in proton-proton (pp) collisions at the centre-of-mass s = 13 TeV. Spherocity is one of the transverse event-shape techniques to distinguish jetty and isotropic events in high-energy collisions and helps in looking into various observables in a more differential manner. In this study, spherocity classes are divided into three categories, namely (i) spherocity integrated, (ii) isotropic, and (iii) jetty. The chemical freeze-out parameters are extracted using a statistical thermal model as a function of the spherocity class and charged particle multiplicity in the canonical, strangeness canonical, and grand canonical ensembles. A clear observation of the multiplicity and spherocity class dependence of Tch, R, and &gamma, s is observed. A final state multiplicity, Nch&ge, 30 in the forward multiplicity acceptance of the ALICE detector appears to be a thermodynamic limit, where the freeze-out parameters become almost independent of the ensembles. This study plays an important role in understanding the particle production mechanism in high-multiplicity pp collisions at the Large Hadron Collider (LHC) energies in view of a finite hadronic phase lifetime in small systems.

Metal-halide perovskites feature very low deep-defect densities, thereby enabling high operating voltages at the solar cell level. Here, by precise extraction of their absorption spectra, we find t...

The interferometry radii, obtained from the Gaussian fits to the two-particle momentum correlation functions for different high-energy heavy-ion collision experiments at the LHC and the top RHIC energies, are described in the integrated hydrokinetic model. The role of the different geometrical sizes of the colliding ions in the formation of the observed femtoscopy scales is investigated by comparing the results for Au+Au, Pb+Pb and Xe+Xe collisions at close values of the mean charged particle multiplicity.

Crystallochemical analysis with the use of Voronoi–Dirichlet polyhedra (VDPs) has been performed for 711 sulfides, whose structures contain 1199 coordination polyhedra LnSn, where Ln is a lanthanide from La to Lu. It has been established that the sulfides incorporate Ln(II), Ln(III), and Ce(IV) atoms bonding from 6 to 10 sulfur atoms, which exist in the form of S2– or S– ions. The VDP parameters provide the possibility to determine the valence state of Ln atoms in the structures of sulfides and distinguish S2– or S– ions. The VDPs of 2913 sulfur atoms have been characterized to establish the dependence between the multiplicity of S–S bonds and their length. A quantitative estimate of lanthanide contraction in LnIIIXn polyhedra is given depending on the nature of chalcogen Х (O, S, Se, or Te).

Dynamic process intensification technology is an emerging technology of process intensification. It adopts a nonsteady-state operation mode, which can improve the time-averaged performance of the r...

The relationship of morphological spectra (sets of data on the morphological types of real polyhedral crystals and their probabilities under current physicochemical conditions of natural process) is shown for different simple crystallographic forms. The methods for constructing generalized and open polyhedra, reducing the multiplicity of symmetry-equivalent crystal faces, are proposed to describe the dissymmetry of medium (as the most general property of the crystallization process). A method for calculating the dissymmetry factor of a natural process is described based on the spectra of these polyhedra.

The types of the steady states for a continuous stirred-tank reactor are studied depending on the process parameters, in particular, a parameter not affecting the position of the steady states, by way of example of a liquid–liquid heterogeneous system, in which an exothermic reaction proceeds. It is shown that the change in the coarse steady states occurs through degenerate steady states.

The kinetic evolution of a multiplicity of metastable grain boundaries (GBs) under fast driving conditions are studied by atomistic modeling. Assisted with an enhanced statistical analysis, the energetic evolution of GBs over a broad metastability-temperature space is mapped out, wherein two distinct regimes—an ageing regime and a rejuvenating regime—are retrieved with high fidelity. By comparing the results under various conditions (e.g. random perturbations, isothermal annealing, and fast heating/cooling), it is shown that such ageing/rejuvenating mechanism map is universal, irrespective of the actual stimuli used to elicit the metastable GBs. The ageing/rejuvenating phenomena are demonstrated to stem from the energy imbalance of uphill climbing and downhill dropping during sequential transitions in the system's potential energy landscape. Without the necessity of introducing free parameters, such model can reconcile experimentally measured hardness variation of nanocrystalline metals subjected to femto-second laser irradiation, and it therefore provides a novel perspective on achieving a plurality of interfacial states and facilitating previously inaccessible property regimes.

Context. It is well known that massive O stars are frequently (if not always) found in binary or higher-order multiple systems, but this fact has been less robustly investigated for the lower mass range of the massive stars, represented by B-type stars. Obtaining the binary fraction and orbital parameter distributions of B-type stars is crucial to understand the impact of multiplicity on the archetypal progenitor of core-collapse supernovae as well as to properly investigate formation channels for gravitational wave progenitors. Aims. This work aims to characterise the multiplicity of the B star population of the young open cluster NGC 6231 through multi-epoch optical spectroscopy of 80 B-type stars. Methods. We analyse 31 FLAMES/GIRAFFE observations of 80 B-type stars, monitoring their radial velocities (RVs) and performing a least-squares spectral analysis (Lomb-Scargle) to search for periodicity in those stars with statistically significant variability in their RVs. Results. We constrained an observed spectroscopic binary fraction of 33 ± 5% for the B-type stars of NGC 6231, with a first order bias correction giving a true spectroscopic binary fraction of 52 ± 8%. Out of 27 B-type binary candidates, we obtained orbital solutions for 20 systems: 15 single-lined (SB1) and five double-lined spectroscopic binaries (SB2s). We present these orbital solutions and the orbital parameter distributions associated with them. Conclusions. Our results indicate that Galactic B-type stars are less frequently found in binary systems than their more massive O-type counterparts, but their orbital properties generally resemble those of B- and O-type stars in both the Galaxy and Large Magellanic Cloud.

Pathways for ductility Alloys containing multiple elements can be very strong but often suffer from poor ductility. F. Wang et al. found that different mechanisms accommodated plasticity in a molybdenum-niobium-titanium multiprincipal element alloy (see the Perspective by Cairney). Instead of so-called “screw” dislocations, deformation is accommodated by multiple pathways that include “edge” dislocations and activation of crystallographic slip planes. These results offer a design paradigm for developing new high-strength alloys. Science , this issue p. 95 ; see also p. 37

Recently the three-dimensional structure of verdoheme heme oxygenase complex was revealed. However, many parameters of verdoheme heme oxygenase’s complex structure and their role and function on Heme degradation were unknown. In this work the structure of iron verdoheme in complex with heme oxygenase was compared by the density functional theory (DFT)-based B3LYP method using the 6-31G basis set. Many parameters such as charge of verdoheme and iron as central metal, electron distribution, spin multiplicity of the molecule and proximal substituents effects on verdoheme ring stabilization and their arrangement are discussed and compared for twelve different conformations of the molecules to find the most energetically stable states.

Colloidal suspensions in confined geometries exhibit rich diffusion dynamics governed by particle shapes and particle-confinement interactions. Here, we propose a colloidal system, consisting of ellipsoids in periodic array of obstacles, to investigate the confined diffusion of anisotropic colloids. From the obstacle density-dependent diffusion, we discover a decoupling of translational and rotational diffusion in which only rotational motion is localized while translational motion remains diffusive. Moreover, by evaluating the probability distributions of displacements, we found Brownian but non-Gaussian diffusion behaviors with increasing the obstacle densities, which originates from the shape anisotropy of the colloid and the multiplicity of the local configurations of the ellipsoids with respect to the obstacle. Our results suggest that the shape anisotropy and spatial confinements play a vital role in the diffusion dynamics. It is important for understanding the transportations of anisotropic objects in complex environments.

Approximately half of the planets discovered by NASA's Kepler mission are in systems where just a single planet transits its host star, and the remaining planets are observed to be in multi-planet systems. Recent analyses have reported a dichotomy in the eccentricity distribution displayed by systems where a single planet transits compared with that displayed by the multi-planet systems. Using $N$-body simulations, we examine the hypothesis that this dichotomy has arisen because inner systems of super-Earths are frequently accompanied by outer systems of giant planets that can become dynamically unstable and perturb the inner systems. Our initial conditions are constructed using a subset of the known Kepler five-planet systems as templates for the inner systems, and systems of outer giant planets with masses between those of Neptune and Saturn that are centred on orbital radii $2 \le a_{\rm p} \le 10$ au. The parameters of the outer systems are chosen so that they are always below an assumed radial velocity detection threshold of 3 ms$^{-1}$. The results show an inverse relation between the mean eccentricities and the multiplicites of the systems. Performing synthetic transit observation of the final systems reveals dichotomies in both the eccentricity and multiplicity distributions that are close to being in agreement with the Kepler data. Hence, understanding the observed orbital and physical properties of the compact systems of super-Earths discovered by Kepler may require holistic modelling that couples the dynamics of both inner and outer systems of planets during and after the epoch of formation., 19 pages, 24 figures, accepted to MNRAS

Interweaving autobiographical narrative with clinical material, this essay examines the generative impact of an enactment initiated by an analyst who shares a history of early maternal loss with a ...

Information about properties of liquid-crystalline dispersions of DNA molecules formed as a result of their phase exclusion is systematized. The influence of temperature and osmotic pressure on the structure of these dispersions has been elucidated in the framework of the concept of ‘quasinematic’ layers of orientationally ordered DNA molecules in dispersion particles. A new hexagonal → ‘re-entrant’ cholesteric packing phase transition of DNA molecules discovered by the authors is described, taking into account the generalized Lindemann criterion. The multiplicity of the ‘re-entrant’ phases and their structure are shown to depend on the characteristics of DNA and water-polymer solutions.

A procedure is presented for the substantial simplification of 2D constant-time 13C− 1H heteronuclear single-quantum correlation (HSQC) spectra of 13C-enriched proteins. In this approach, a single pulse sequence simultaneously records eight sub-spectra wherein the phases of the NMR signals depend on spin topology. Signals from different chemical groups are then stratified into different sub-spectra through linear combination based on Hadamard encoding of 13CH n multiplicity (n = 1, 2, and 3) and the chemical nature of neighboring 13C nuclei (aliphatic, carbonyl/carboxyl, aromatic). This results in five sets of 2D NMR spectra containing mutually exclusive signals from: (i) 13C β− 1H β correlations of asparagine and aspartic acid, 13C γ− 1H γ correlations of glutamine and glutamic acid, and 13C α− 1H α correlations of glycine, (ii) 13C α− 1H α correlations of all residues but glycine, and (iii) 13C β− 1H β correlations of phenylalanine, tyrosine, histidine, and tryptophan, and the remaining (iv) aliphatic 13CH 2 and (v) aliphatic 13CH/ 13CH 3 resonances. As HSQC is a common element of many NMR experiments, the spectral simplification proposed in this article can be straightforwardly implemented in experiments for resonance assignment and structure determination and should be of widespread utility.

Experiments with 6,8He, 9Li + 28Si, 59Co, and 181Ta reactions in the energy range of 6,8He and 9Li beams 6–36 A MeV have been preformed. Prompt neutrons and gamma radiation were registered by a 12‑detector gamma spectrometer. The values of the total reaction cross sections and the multiplicity distributions for the emission of γ-quanta and neutrons were calculated taking into account the distributions over the number of triggered detectors.

We investigate the central nucleus–nucleus collisions at 4.2 A GeV/c exploiting the simulated results, obtained from ultra-relativistic quantum molecular dynamic model code1.3. The method used for quantitative analysis is free of the undesired background contributions and needs no prior information. The procured results reveal that the nearest neighbor momentum spacing correlation among the secondary particles sharply decreases with increasing particle multiplicity. The critical values of the multiplicity can be linked with central collisions and employed as a tool to adjust the centrality.

Feminism and Physics underpin the theory of Diffraction. Re-turning as a multiplicity of processes is central to the work of diffractive theorists like Karen Barad and Donna J. Haraway. This paper ...