Non-linear boundary-layer receptivity due to distributed surface roughness

The process by which a laminar boundary layer internalizes the external disturbances in the form of instability waves is known as boundary-layer receptivity. The objective of the present research was to determine the effect of acoustic excitation on boundary-layer receptivity for a flat plate with distributed variable-amplitude surface roughness through measurements with a hot-wire probe. Tollmien-Schlichting (T-S) mode shapes due to surface-roughness receptivity have also been determined, analyzed, and shown to be in agreement with theory and other experimental work. It has been shown that there is a linear relationship between the surface roughness and receptivity for certain roughness configurations with constant roughness wavelength. In addition, strong nonlinear receptivity effects exist for certain surface roughness configurations over a band where the surface roughness and T-S wavelength are matched. The results from the present experiment follow the trends predicted by theory and other experimental work for linear receptivity. In addition, the results show the existence of nonlinear receptivity effects for certain combinations of surface roughness elements

Representing uncertainty regarding satisfaction degrees using possibility distributions

Evaluating flexible criteria on data leads to degrees of satisfaction. If a datum is uncertain, it can be uncertain to which degree it satisfies the criterion. This uncertainty can be modelled using a possibility distribution over the domain of possible degrees of satisfaction. In this work, we discuss the meaningfulness thereof by looking at the semantics of such a representation of the uncertainty. More specifically, it is shown that defuzzification of such a representation, towards usability in (multi-criteria) decision support systems, corresponds to expressing a clear attitude towards uncertainty (optimistic, pessimistic, cautious, etc.

Straightforward access to chalcogenoureas derived from N-heterocyclic carbenes and their coordination chemistry

Chalcogen-based urea compounds supported by a wide range of N-heterocyclic carbenes are synthesised and fully characterised. Coordination of selenoureas is further explored with Group 11 transition metals to form new copper, gold and silver complexes. Single crystal X-ray analyses unambiguously establish the solid-state coordination of these complexes and show that the geometry of a complex is highly influenced by a combination of electronic properties – mainly π-accepting ability – and steric hindrance of the ligands, as well as the nature of the metal, affording a variety of coordination behaviours. In this report, we investigate these phenomena using several experimental methods

Design, synthesis and evaluation of novel enzalutamide analogues as potential anticancer agents

The androgen receptor inhibitor, Enzalutamide, proved effective against castration resistance prostate cancer, has demonstrated clinical benefits and increased survival rate in men. However, AR mutation (F876L) converts Enzalutamide from antagonist to agonist indicating a rapid evolution of resistance. Hence, our goal is to overcome this resistance mechanism by designing and developing novel Enzalutamide analogues. We designed a dataset of Enzalutamide derivatives using Enzalutamide's shape and electrostatic features to match with pharmacophoric features essential for tight binding with the androgen receptor. Based on this design strategy ten novel derivatives were selected including 5,5-dimethyl-3-(6-substituted benzo[d]thia/oxazol-2-yl)-2-thioxo-1-(4-(trifluoromethyl)pyridin-2-yl)imidazolidin-4-one (6a-j) for synthesis. All the compounds were evaluated in-vitro on prostate cancer cell lines DU-145, LNCaP and PC3. Interestingly, two compounds 3-(6-hydroxybenzo[d]thiazol-2-yl)-5,5-dimethyl-2-thioxo-1-(4-(trifluoromethyl)pyridin-2-yl) imidazolidin-4-one (6c, IC50 – 18.26 to 20.31μM) and 3-(6-hydroxybenzo[d]oxazol-2-yl)-5,5-dimethyl -2-thioxo- 1- (4-(trifluoromethyl) pyridin-2-yl)imidazolidin-4-one (6h, IC50 – 18.26 to 20.31μM) were successful with promising in-vitro antiproliferative activity against prostate cancer cell lines. The binding mechanism of potential androgen receptor inhibitors was further studied by molecular docking, molecular dynamics simulations and MM-GBSA binding free energy calculations and found in agreement with the in vitro studies. It provided strong theoretical support to our hypothesis

Tomographic Imaging of the Sagittarius Spiral Arm's Magnetic Field Structure

The Galactic global magnetic field is thought to play a vital role in shaping Galactic structures such as spiral arms and giant molecular clouds. However, our knowledge of magnetic field structures in the Galactic plane at different distances is limited, as measurements used to map the magnetic field are the integrated effect along the line of sight. In this study, we present the first-ever tomographic imaging of magnetic field structures in a Galactic spiral arm. Using optical stellar polarimetry over a $17' \times 10'$ field of view, we probe the Sagittarius spiral arm. Combining these data with stellar distances from the $Gaia$ mission, we can isolate the contributions of five individual clouds along the line of sight by analyzing the polarimetry data as a function of distance. The observed clouds include a foreground cloud ($d < 200$ pc) and four clouds in the Sagittarius arm at 1.23 kpc, 1.47 kpc, 1.63 kpc, and 2.23 kpc. The column densities of these clouds range from 0.5 to $2.8 \times 10^{21}~\mathrm{cm}^{-2}$. The magnetic fields associated with each cloud show smooth spatial distributions within their observed regions on scales smaller than 10 pc and display distinct orientations. The position angles projected on the plane-of-sky, measured from the Galactic north to east, for the clouds in increasing order of distance are $135^\circ$, $46^\circ$, $58^\circ$, $150^\circ$, and $40^\circ$, with uncertainties of a few degrees. Notably, these position angles deviate significantly from the direction parallel to the Galactic plane.Comment: Accepted for publication in Ap

Pharmacoinformatics-based identification of transmembrane protease serine-2 inhibitors from Morus Alba as SARS-CoV-2 cell entry inhibitors

Abstract: Transmembrane protease serine-2 (TMPRSS2) is a cell-surface protein expressed by epithelial cells of specific tissues including those in the aerodigestive tract. It helps the entry of novel coronavirus (n-CoV) or Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) in the host cell. Successful inhibition of the TMPRSS2 can be one of the crucial strategies to stop the SARS-CoV-2 infection. In the present study, a set of bioactive molecules from Morus alba Linn. were screened against the TMPRSS2 through two widely used molecular docking engines such as Autodock vina and Glide. Molecules having a higher binding affinity toward the TMPRSS2 compared to Camostat and Ambroxol were considered for in-silico pharmacokinetic analyses. Based on acceptable pharmacokinetic parameters and drug-likeness, finally, five molecules were found to be important for the TMPRSS2 inhibition. A number of bonding interactions in terms of hydrogen bond and hydrophobic interactions were observed between the proposed molecules and ligand-interacting amino acids of the TMPRSS2. The dynamic behavior and stability of best-docked complex between TRMPRSS2 and proposed molecules were assessed through molecular dynamics (MD) simulation. Several parameters from MD simulation have suggested the stability between the protein and ligands. Binding free energy of each molecule calculated through MM-GBSA approach from the MD simulation trajectory suggested strong affection toward the TMPRSS2. Hence, proposed molecules might be crucial chemical components for the TMPRSS2 inhibition. Graphic abstract: [Figure not available: see fulltext.

The JCMT BISTRO-2 Survey: The Magnetic Field in the Center of the Rosette Molecular Cloud

We present the first 850 μm polarization observations in the most active star-forming site of the Rosette Molecular Cloud (d ~ 1.6 kpc) in the wall of the Rosette Nebula, imaged with the SCUBA-2/POL-2 instruments of the James Clerk Maxwell telescope, as part of the B-Fields In Star-forming Region Observations 2 (BISTRO-2) survey. From the POL-2 data we find that the polarization fraction decreases with the 850 μm continuum intensity with α = 0.49 ± 0.08 in the p ∝ I−α relation, which suggests that some fraction of the dust grains remain aligned at high densities. The north of our 850 μm image reveals a "gemstone ring" morphology, which is a ~1 pc diameter ring-like structure with extended emission in the "head" to the southwest. We hypothesize that it might have been blown by feedback in its interior, while the B-field is parallel to its circumference in most places. In the south of our SCUBA-2 field the clumps are apparently connected with filaments that follow infrared dark clouds. Here, the POL-2 magnetic field orientations appear bimodal with respect to the large-scale Planck field. The mass of our effective mapped area is ~174 M⊙, which we calculate from 850 μm flux densities. We compare our results with masses from large-scale emission-subtracted Herschel 250 μm data and find agreement within 30%. We estimate the plane-of-sky B-field strength in one typical subregion using the Davis–Chandrasekhar–Fermi technique and find 80 ± 30 μG toward a clump and its outskirts. The estimated mass-to-flux ratio of λ = 2.3 ± 1.0 suggests that the B-field is not sufficiently strong to prevent gravitational collapse in this subregion