The Predicted Binding Site and Dynamics of Peptide Inhibitors to the Methuselah GPCR from Drosophila melanogaster

Peptide inhibitors of Methuselah (Mth), a G protein-coupled receptor (GPCR), were reported that can extend the life span of Drosophila melanogaster. Mth is a class B GPCR, which is characterized by a large, N-terminal ectodomain that is often involved with ligand recognition. The crystal structure of the Mth ectodomain, which binds to the peptide inhibitors with high affinity, was previously determined. Here we report the predicted structures for RWR motif peptides in complex with the Mth ectodomain. We studied representatives of both Pro-class and Arg-class RWR motif peptides and identified ectodomain residues Asp139, Phe130, Asp127, and Asp78 as critical in ligand binding. To validate these structures, we predicted the effects of various ligand mutations on the structure and binding to Mth. The binding of five mutant peptides to Mth was characterized experimentally by surface plasmon resonance, revealing measured affinities that are consistent with predictions. The electron density map calculated from our MD structure compares well with the experimental map of a previously determined peptide/Mth crystal structure and could be useful in refining the current low-resolution data. The elucidation of the ligand binding site may be useful in analyzing likely binding sites in other class B GPCRs

Artificial Intelligence (AI)-Based Technology Adoption in the Construction Industry: A Cross National Perspective Using the Technology Acceptance Model

The research has chosen the workers in construction-related companies in South Korea and the United Kingdom (UK) as research subjects in order to analyse factors that influence their usage intention of Artificial Intelligence (AI) based technologies. The perceived usefulness had a positive impact (+) on technological satisfaction and usage intention in terms of the commonalities shown by the construction industry workers in both countries, South Korea and the UK, in adopting AI-based technologies. Moreover, the most remarkable differences were personal competence and social influence when choosing AI-based technologies. It was analysed that in the case of South Korea, personal competence had a positive impact (+) on perceived ease of use, whereas the UK had a positive impact (+) on perceived usefulness and perceived ease of use. This study holds particular significance in the domain of cross-cultural research within the construction industry. It conducts an analysis of the factors influencing the adoption of AI-driven technologies or products, with a specific focus on the cultural differences between two nations: South Korea and the UK, which represent Eastern and Western cultural paradigms, respectively

Revisiting the Role of TGFβ Receptor Internalization for Smad Signaling: It is Not Required in Optogenetic TGFβ Signaling Systems

Endocytosis is an important process by which many signaling receptors reach their intracellular effectors. Accumulating evidence suggests that internalized receptors play critical roles in triggering cellular signaling, including transforming growth factor β (TGFβ) signaling. Despite intensive studies on the TGFβ pathway over the last decades, the necessity of TGFβ receptor endocytosis for downstream TGFβ signaling responses is a subject of debate. In this study, mathematical modeling and synthetic biology approaches are combined to re-evaluate whether TGFβ receptor internalization is indispensable for inducing Smad signaling. It is found that optogenetic systems with plasma membrane-tethered TGFβ receptors can induce fast and sustained Smad2 activation upon light stimulations. Modeling analysis suggests that endocytosis is precluded for the membrane-anchored optogenetic TGFβ receptors. Therefore, this study provides new evidence to support that TGFβ receptor internalization is not required for Smad2 activation

Magnetic interactions in transition metal doped ZnO : An abinitio study

We calculate the nature of magnetic interactions in transition-metal doped ZnO using the local spin density approximation and LSDA+\textit{U} method of density functional theory. We investigate the following four cases: (i) single transition metal ion types (Cr, Mn, Fe, Co, Ni and Cu) substituted at Zn sites, (ii) substitutional magnetic transition metal ions combined with additional Cu and Li dopants, (iii) substitutional magnetic transition metal ions combined with oxygen vacancies and (iv) pairs of magnetic ion types (Co and Fe, Co and Mn, etc.). Extensive convergence tests indicate that the calculated magnetic ground state is unusually sensitive to the k-point mesh and energy cut-off, the details of the geometry optimizations and the choice of the exchange-correlation functional. We find that ferromagnetic coupling is sometimes favorable for single type substitutional transition metal ions within the local spin density approximation. However, the nature of magnetic interactions changes when correlations on the transition-metal ion are treated within the more realistic LSDA + \textit{U} method, often disfavoring the ferromagnetic state. The magnetic configuration is sensitive to the detailed arrangement of the ions and the amount of lattice relaxation, except in the case of oxygen vacancies when an antiferromagnetic state is always favored.Comment: 11 pages, 17 figure

Polariton Bose-Einstein condensate at room temperature in a Al(Ga)N nanowire-dielectric microcavity with a spatial potential trap

A spatial potential trap is formed in a 6.0 {\mu}m Al(Ga)N nanowire by varying the Al composition along its length during epitaxial growth. The polariton emission characteristics of a dielectric microcavity with the single nanowire embedded in-plane has been studied at room temperature. Excitation is provided at the Al(Ga)N end of the nanowire and polariton emission is observed from the lowest bandgap GaN region of the nanowire. Comparison of the results with those measured in an identical microcavity with an uniform GaN nanowire and having an identical exciton-photon detuning suggests evaporative cooling of the polaritons as they are transported across the trap in the Al(Ga)N nanowire. Measurement of the spectral characteristics of the polariton emission, their momentum distribution, first-order spatial coherence and time-resolved measurements of polariton cooling provide strong evidence of the formation of an equilibrium Bose-Einstein condensate, a unique state of matter in solid state systems, in the GaN region of the nanowire, at room temperature. An equilibrium condensate is not formed in the GaN nanowire dielectric microcavity without the spatial potential trap.Comment: 28 pages, 6 figures, Submitted to the Proceedings of the National Academy of Sciences of the United States of Americ

Raman-scattered O VI Features in the Symbiotic Nova RR Telescopii

RR Tel is an interacting binary system in which a hot white dwarf (WD) accretes matter from a Mira-type variable star via gravitational capture of its stellar wind. This symbiotic nova shows intense Raman-scattered O VI 1032 and 1038 features at 6825 ˚A and 7082 ˚A. We present high-resolution optical spectra of RR Tel taken in 2016 and 2017 with the Magellan Inamori Kyocera Echelle (MIKE) spectrograph at Magellan-Clay telescope, Chile. We aim to study the stellar wind accretion in RR Tel from the profile analysis of Raman O VI features. With an asymmetric O VI disk model, we derive a representative Keplerian speed of > 35 km s−1 , and the corresponding scale < 0.8 au. The best-fit for the Raman profiles is obtained with a mass loss rate of the Mira M˙ ∼ 2 × 10−6 M yr−1 and a wind terminal velocity v∞ ∼ 20 km s−1 . We compare the MIKE data with an archival spectrum taken in 2003 with the Fibre-fed Extended Range Optical Spectrograph (FEROS) at the MPG/ESO 2.2 m telescope. It allows us to highlight the profile variation of the Raman O VI features, indicative of a change in the density distribution of the O VI disk in the last two decades. We also report the detection of O VI recombination lines at 3811 ˚A and 3834 ˚A, which are blended with other emission lines. Our profile decomposition suggests that the recombination of O VII takes place nearer to the WD than the O VI 1032 and 1038 emission region.Fil: Heo, J. E.. Observatorio Gemini; Chile. Universidad de La Serena; Chile. Sejong University; Corea del SurFil: Lee, H. W.. Universidad de Sejong; Corea del SurFil: Angeloni, R.. Universidad de La Serena; ChileFil: Palma, Tali. Universidad Nacional de Córdoba. Observatorio Astronómico de Córdoba. Departamento de Astrofísica Estelar; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba; ArgentinaFil: Di Mille, F.. Observatorio Las Campanas; Chil

Extended optical model analyses of 11^{11}Be+197^{197}Au with dynamic polarization potentials

We discuss angular distributions of elastic, inelastic, and breakup cross sections for $^{11}$Be + $^{197}$Au system, which were measured at energies below and around Coulomb barrier. To this end, we employ Coulomb dipole excitation (CDE) and long-range nuclear (LRN) potential to take into account long range effects by halo nuclear system and break up effects by weakly-bound structure. We then analyze recent experimental data including 3-channes i.e. elastic, inelastic, and breakup cross sections, at $E_{\textrm{c.m.}}$=29.6 MeV and $E_{\text{c.m.}}$=37.1 MeV. From the extracted parameter sets using $\chi^{2}$ analysis, we successfully reproduce the experimental angular distributions of the elastic, inelastic, and breakup cross sections for $^{11}$Be+$^{197}$Au system simultaneously. Also we discuss the necessity of LRN potential around Coulomb barrier from analyzed experimental data