Symmetry

The ternary germanide Mg5.57 Ni16 Ge7.43 (cubic, space group Fm\overline{3}m, cF116) belongs to the structural family based on the Th6 Mn23 -type. The Ge1 and Ge2 atoms fully occupy the 4a (m\overline{3}m symmetry) and 24d (m.mm) sites, respectively. The Ni1 and Ni2 atoms both fully occupy two 32f sites (.3m symmetry). The Mg/Ge statistical mixture occupies the 24e site with 4m.m symmetry. The structure of the title compound contains a three-core-shell cluster. At (0,0,0), there is a Ge1 atom which is surrounded by eight Ni atoms at the vertices of a cube and consequently six Mg atoms at the vertices of an octahedron...

Topological insulators (TIs) with spin-momentum-locked surface states and considerable spin-to-charge conversion (SCC) efficiency are ideal substitutes for the nonmagnetic layer in the traditional ferromagnetic/nonmagnetic (FM/NM) spintronic terahertz (THz) emitters. Here, the TI/ferrimagnetic structure as an effective polarization tunable THz source is verified by terahertz emission spectroscopy. The emitted THz electric field can be separated into two THz components utilizing their opposite symmetry on pump polarization and the magnetic field...

a-BiB3O6 (BiBO) is an important nonlinear optical (NLO) material with high efficiency for applications in harmonic generations and quantum technology. Owing to its low symmetry and cooperative Bi3+ lone pair arrangement, it has also exceptional large piezoelectric and electro-optic coefficients and strong anisotropies on other material characteristics.  Previous theoretical calculations on its physical properties often gave confusing results. It is found here that London dispersion (LD) tends to stabilize structures with closer pack  Bi3+ with large polarizabilities, which is ignored in most previous density functional theory (DFT) calculations...

OBJECTIVE: Low vagal tone is common in osteoarthritis (OA) comorbidities and results in greater peripheral inflammation. Characterizing vagal tone's role in OA pathogenesis may offer insights into OA's influences beyond the articular joint. We hypothesized that low vagal tone would accelerate onset of OA-related gait changes and worsen joint damage in a rat knee OA model. METHODS: Knee OA was induced in male Sprague Dawley rats by transecting the medial collateral ligament and medial meniscus...

The generally undesirable bandgap and electron-hole complexation of inorganic sonosensitizers limit the efficiency of reactive oxygen species (ROS) generation, affecting the effectiveness of sonodynamic therapy (SDT). Comparatively, the novel polyvinylpyrrolidone-modified copper bismuthate (PCBO) sonosensitizers are manufactured for a "three-step" SDT promotion. In brief, first, the strong hybridization between Bi 6s and O 2p orbitals in PCBO narrows the bandgap (1.83 eV), facilitating the rapid transfer of charge carriers...

14,14'-Bidibenzo[a,j]anthracenes (BDBAs) were prepared by iridium-catalyzed annulation of 5,5'-biterphenylene with alkynes. Overcrowded BDBAs with highly distorted molecular halves and a small interplanar angle between two anthryl moieties (down to approximately 31º, currently the lowest reported value) were verified by X-ray crystallography. The strong intramolecular interactions and electronic couplingsbetween two molecular halves resulted in upfield 1H NMR signals, redshifted absorption and emission bands, and a reduced HOMO-LUMO gap...

Ferroic orders and their associated structural phase transitions are paramount in the understanding of a multitude of unconventional condensed matter phenomena. On this note, our investigation focuses on the polymorphic ferroelectric phase transitions of Copper(II) hydroxide, Cu(OH)2 , considering an antiferromagnetic ground state. By employing the first-principles studies and group theory analysis, we have provided a systematic theoretical investigation of vibrational properties in the hypothetical Cmcm high-symmetry phase to unveil the symmetry-allowed ferroic phases...

Metazoan species depict a wide spectrum of regeneration ability which calls into question the evolutionary origins of the underlying processes. Since species with high regeneration ability are widely distributed throughout metazoans, there is a possibility that the metazoan ancestor had an underlying common molecular mechanism. Early metazoans like sponges possess high regenerative ability, but, due to the large differences they have with Cnidaria and Bilateria regarding symmetry and neuronal systems it can be inferred that this regenerative ability is different...

Can liquid-like and gas-like states be distinguished beyond the critical point, where the liquid-gas phase transition no longer exists and conventionally only a single supercritical fluid phase is defined? Recent experiments and simulations report strong evidence of dynamical crossovers above the critical temperature and pressure. Despite using different criteria, many existing theoretical explanations consider a single crossover line separating liquid-like and gas-like states in the supercritical fluid phase...

A series of novel Eu3+ -activated Ba2 Gd2/3 TeO6 (BGT) phosphors were successfully synthesised via a high temperature solid state reaction method. The crystal structure analysis showed that Eu3+ -doped Ba2 Gd2/3 TeO6 double perovskite phosphors possess monoclinic symmetry with space group P 21 / n . The as-prepared phosphors can be efficiently excited by far-ultraviolet light to generate reddish orange luminescence of around 593 nm corresponding to the 5 D0 → 7 F1 transitions of Eu3+ ions. Gd3+ acts as a sensitizer for luminescence enhancement...

Assembly of macromolecular complexes at correct cellular sites is crucial for cell function. Nuclear pore complexes (NPCs) are large cylindrical assemblies with eightfold rotational symmetry, built through hierarchical binding of nucleoporins (Nups) forming distinct subcomplexes. Here, we uncover a role of ubiquitin-associated protein 2-like (UBAP2L) in the assembly and stability of properly organized and functional NPCs at the intact nuclear envelope (NE) in human cells. UBAP2L localizes to the nuclear pores and facilitates the formation of the Y-complex, an essential scaffold component of the NPC, and its localization to the NE...

Inhibitory G alpha (GNAI or Gαi) proteins are critical for the polarized morphogenesis of sensory hair cells and for hearing. The extent and nature of their actual contributions remains unclear, however, as previous studies did not investigate all GNAI proteins and included non-physiological approaches. Pertussis toxin can downregulate functionally redundant GNAI1, GNAI2, GNAI3, and GNAO proteins, but may also induce unrelated defects. Here, we directly and systematically determine the role(s) of each individual GNAI protein in mouse auditory hair cells...

PURPOSE: There is a lack of knowledge concerning differences between females and males in the early stages after an acute Achilles tendon rupture. This article aims to explore the different factors affecting early function after an Achilles tendon rupture with a validated test battery that includes functional tests, clinical measurements and patient-reported outcome at a 3-month follow-up analysis of a larger prospective study. METHODS: This study was part of the DUSTAR-study (Diagnostic UltraSonography for the choice of Treatment of acute Achilles tendon Rupture) where the main aim was to evaluate if an acute ultrasonography could determine which patients, with an Achilles tendon rupture, should be treated surgically or nonsurgically...

We investigate the influence of quantum interference (QI) and broken spin-symmetry on the thermoelectric response of node-possessing junctions, finding a dramatic enhancement of the spin-thermopower ( S s ), figure-of-merit ( Z s T ), and maximum thermodynamic efficiency (ηs max ) caused by destructive QI. Using many-body and single-particle methods, we calculate the response of 1,3-benzenedithiol and cross-conjugated molecule-based junctions subject to an applied magnetic field, finding nearly universal behavior over a range of junction parameters with S s , Z s T , and reaching peak values of <mml:math xmlns:mml="https://www...

Team sports involve various sprinting actions, including curvilinear sprints, yet their neuromuscular factors have been understudied. The aim of this cross-sectional study was to investigate the relationship between lower limb muscle strength, strength asymmetries, linear sprint and curvilinear sprint performance. At two visits 12 male (age: 24.8 ± 4.7 years, height: 1.82 ± 0.06 m, body mass: 80 ± 6.58 kg) and 6 female (age: 20.8 ± 1...

H2 S is being detected in the atmospheres of ever more interstellar bodies, and photolysis is an important mechanism by which it is processed. Here, we report H Rydberg atom time-of-flight measurements following the excitation of H2 S molecules to selected rotational ( J KaKc ') levels of the 1 B1 Rydberg state associated with the strong absorption feature at wavelengths of λ ∼ 129.1 nm. Analysis of the total kinetic energy release spectra derived from these data reveals that all levels predissociate to yield H atoms in conjunction with both SH(A) and SH(X) partners and that the primary SH(A)/SH(X) product branching ratio increases steeply with ⟨ J b 2 ⟩, the square of the rotational angular momentum about the b -inertial axis in the excited state...

BSTS epitaxial thin film topological insulators were grown using the MBE technique on two different types of substrates i.e. , Si (111) and SiC/graphene with Bi0.7 Sb1.6 Te1.8 Se0.9 and Bi0.9 Sb1.5 Te1.8 Se1.1 , respectively. The crystallographic properties of BSTS films were investigated via X-ray diffraction, which showed the strongest reflections from the (0 0 l ) facets corresponding to the rhombohedral phase. Superior epitaxial growth, homogeneous thickness, smooth surfaces, and larger unit cell parameters were observed for the films grown on the Si substrate...

Planar polarity is a commonly observed phenomenon in which proteins display a consistent asymmetry in their subcellular localization or activity across the plane of a tissue. During animal development, planar polarity is a fundamental mechanism for coordinating the behaviors of groups of cells to achieve anisotropic tissue remodeling, growth, and organization. Therefore, a primary focus of developmental biology research has been to understand the molecular mechanisms underlying planar polarity in a variety of systems to identify conserved principles of tissue organization...

Solid-state nuclear magnetic resonance spectroscopy is routinely used in the field of covalent organic frameworks to elucidate or confirm the structure of the synthesized samples and to understand dynamic phenomena. Typically this involves the interpretation and simulation of the spectra through the assumption of symmetry elements of the building units, hinging on the correct assignment of each line shape. To avoid misinterpretation resulting from library-based assignment without a theoretical basis incorporating the impact of the framework, this work proposes a first-principles computational protocol for the assignment of experimental spectra, which exploits the symmetry of the underlying building blocks for computational feasibility...

Accurate atom mapping, which establishes correspondences between atoms in reactants and products, is a crucial step in analyzing chemical reactions. In this paper, we present a novel end-to-end approach that formulates the atom mapping problem as a deep graph matching task. Our proposed model, AMNet (Atom Matching Network), utilizes molecular graph representations and employs various atom and bond features using graph neural networks to capture the intricate structural characteristics of molecules, ensuring precise atom correspondence predictions...