An Improved Method to Determine Particle Dispersion Width for Efficient Modeling of Turbulent Two‐Phase Flows

An improved approach is presented for the hybrid Eulerian‐Lagrangian modeling of turbulent two‐phase flows. The hybrid model consists of a nonlinear k–ε model for the fluid flow and an efficient Lagrangian trajectory model for the particulate flow. The improved approach avoids an empirical correlation required to determine the dispersion width for the existing Stochastic‐Probabilistic Efficiency Enhanced Dispersion (SPEED) model. The improved SPEED model is validated using experimental data for a poly‐dispersed water spray interacting with a turbulent annular air jet behind a bluff‐body. Numerical results for the number‐mean and Sauter‐mean droplet diameters, as well as mean and fluctuating droplet velocities are compared with the experimental data and with the predictions of other dispersion models. It is demonstrated that higher computational efficiency and smoother profiles of Sauter‐mean diameter can be obtained with the improved stochastic‐probabilistic model than with the eddy‐interaction model.     

Competition between quantum spin tunneling and Kondo effect

Quantum spin tunneling and Kondo effect are two very different quantum phenomena that produce the same effect on quantized spins, namely, the quenching of their magnetization. However, the nature of this quenching is very different so that quantum spin tunneling and Kondo effect compete with each other. Importantly, both quantum spin tunneling and Kondo effect produce very characteristic features in the spectral function that can be measured by means of single spin scanning tunneling spectroscopy and allows to probe the crossover from one regime to the other. We model this crossover, and the resulting changes in transport, using a non-perturbative treatment of a generalized Anderson model including magnetic anisotropy that leads to quantum spin tunneling. We predict that, at zero magnetic field, integer spins can feature a split-Kondo peak driven by quantum spin tunneling.     

An Overview of Key Technologies in Physical Layer Security

The open nature of radio propagation enables ubiquitous wireless communication. This allows for seamless data transmission. However, unauthorized users may pose a threat to the security of the data being transmitted to authorized users. This gives rise to network vulnerabilities such as hacking, eavesdropping, and jamming of the transmitted information. Physical layer security (PLS) has been identified as one of the promising security approaches to safeguard the transmission from eavesdroppers in a wireless network. It is an alternative to the computationally demanding and complex cryptographic algorithms and techniques. PLS has continually received exponential research interest owing to the possibility of exploiting the characteristics of the wireless channel. One of the main characteristics includes the random nature of the transmission channel. The aforesaid nature makes it possible for confidential and authentic signal transmission between the sender and the receiver in the physical layer. We start by introducing the basic theories of PLS, including the wiretap channel, information-theoretic security, and a brief discussion of the cryptography security technique. Furthermore, an overview of multiple-input multiple-output (MIMO) communication is provided. The main focus of our review is based on the existing key-less PLS optimization techniques, their limitations, and challenges. The paper also looks into the promising key research areas in addressing these shortfalls. Lastly, a comprehensive overview of some of the recent PLS research in 5G and 6G technologies of wireless communication networks is provided.     

Are women better mindreaders? Sex differences in neural correlates of mentalizing detected with functional MRI

Background

Oxidative stress plays a key role in the neuropathogenesis of Human Immunodeficiency Virus-1 (HIV-1) infection causing apoptosis of astroglia cells and neurons. Recent data have shown that oxidative stress is also responsible for the acceleration of human fibroblast telomere shortening in vitro. In the present study we analyzed the potential relations occurring between free radicals formation and telomere length during HIV-1 mediated astroglial death.

Results

To this end, U373 human astrocytoma cells have been directly exposed to X4-using HIV-1IIIB strain, for 1, 3 or 5 days and treated (where requested) with N-acetylcysteine (NAC), a cysteine donor involved in the synthesis of glutathione (GSH, a cellular antioxidant) and apoptosis has been evaluated by FACS analysis. Quantitative-FISH (Q-FISH) has been employed for studying the telomere length while intracellular reduced/oxidized glutathione (GSH/GSSG) ratio has been determined by High-Performance Liquid Chromatography (HPLC). Incubation of U373 with HIV-1IIIB led to significant induction of cellular apoptosis that was reduced in the presence of 1 mM NAC. Moreover, NAC improved the GSH/GSSG, a sensitive indicator of oxidative stress, that significantly decreased after HIV-1IIIB exposure in U373. Analysis of telomere length in HIV-1 exposed U373 showed a statistically significant telomere shortening, that was completely reverted in NAC-treated U373.

Conclusion

Our results support the role of HIV-1-mediated oxidative stress in astrocytic death and the importance of antioxidant compounds in preventing these cellular damages. Moreover, these data indicate that the telomere structure, target for oxidative damage, could be the key sensor of cell apoptosis induced by oxidative stress after HIV infection.     

Black holes with scalar charge

Previously it had been thought that a stationary black hole with an exterior devoid of matter can be parametrized only by mass, angular momentum, and electric charge. We show here that scalar charge is also an admissible parameter. Our starting point is a new solution of Einstein's equations with stress-energy of electromagnetic and conformal scalar fields which we presented earlier. It has a black-hole geometry, and is parametrized by electric and scalar charges. Its conformal scalar field is unbounded at the event horizon, and we originally regarded this feature as incompatible with a black hole interpretation. However, following a suggestion of B. DeWitt, we show here that the infinity in the scalar field need not be physically pathological: it is not associated with an infinite potential barrier for test scalar charges; it does not cause the termination of any trajectories of these test particles at finite proper time; and it is not connected with unbounded tidal accelerations between neighboring trajectories. In view of these facts, we now regard the new solution as a genuine black hole solution.     

Synthesis of (Z)-N-alkenyl-β-arylselanyl imidazoles via additive-free nucleophilic addition of imidazole to arylselanylalkynes

We present herein our results on the nucleophilic addition of imidazole to a range of arylselanylalkynes by simple heating in DMF without any additives to give (Z)-1-(1-organyl-(2-arylselanyl)vinyl)-1H-imidazoles. The reactions were performed under mild conditions with a range of arylselanylalkynes in good yields and with high regio- and stereoselectivity to give the respective (Z)-arylselanyl alkene as the only isomer.     

Crystallization of the $${\text{Mn}}^{{\text{II}}}[12{\text{-MC}}_{{\text{Mn}}^{{\text{III}}}{\text{(N)shi}}}{\text{-}}4]^{2+}$$ Mn II [ 12 -MC Mn III (N)shi - 4 ] 2 + Structure with 1,2,4-Triazolate from Methanol

Journal of Chemical Crystallography - The metallacrown (MC) dimer complex {MnII(OAc)(1,2,4-trz) $$[12{\text{-MC}}_{{\text{Mn}}^{{\text{III}}}{\text{(N)shi}}}{\text{-}}4]$$...     

Antibacterial Activity of Pharmaceutical-Grade Rose Bengal: An Application of a Synthetic Dye in Antibacterial Therapies

Rose bengal has been used in the diagnosis of ophthalmic disorders and liver function, and has been studied for the treatment of solid tumor cancers. To date, the antibacterial activity of rose bengal has been sporadically reported; however, these data have been generated with a commercial grade of rose bengal, which contains major uncontrolled impurities generated by the manufacturing process (80–95% dye content). A high-purity form of rose bengal formulation (HP-RBf, >99.5% dye content) kills a battery of Gram-positive bacteria, including drug-resistant strains at low concentrations (0.01–3.13 μg/mL) under fluorescent, LED, and natural light in a few minutes. Significantly, HP-RBf effectively eradicates Gram-positive bacterial biofilms. The frequency that Gram-positive bacteria spontaneously developed resistance to HP-RB is extremely low (less than 1 × 10⁻¹³). Toxicity data obtained through our research programs indicate that HP-RB is feasible as an anti-infective drug for the treatment of skin and soft tissue infections (SSTIs) involving multidrug-resistant (MDR) microbial invasion of the skin, and for eradicating biofilms. This article summarizes the antibacterial activity of pharmaceutical-grade rose bengal, HP-RB, against Gram-positive bacteria, its cytotoxicity against skin cells under illumination conditions, and mechanistic insights into rose bengal’s bactericidal activity under dark conditions.     

Recognition of Dimethylarginine Analogues by Tandem Tudor Domain Protein Spindlin1

Epigenetic readout of the combinatorial posttranslational modification comprised of trimethyllysine and asymmetric dimethylarginine (H3K4me3R8me2a) takes place via biomolecular recognition of tandem Tudor-domain-containing protein Spindlin1. Through comparative thermodynamic data and molecular dynamics simulations, we sought to explore the binding scope of asymmetric dimethylarginine mimics by Spindlin1. Herein, we provide evidence that the biomolecular recognition of H3K4me2R8me2a is not significantly affected when R8me2a is replaced by dimethylarginine analogues, implying that the binding of K4me3 provides the major binding contribution. High-energy water molecules inside both aromatic cages of the ligand binding sites contribute to the reader–histone association upon displacement by histone peptide, with the K4me3 hydration site being lower in free energy due to a flip of Trp151.     

Optimization of Biocompatibility for a Hydrophilic Biological Molecule Encapsulation System

Despite considerable advances in recent years, challenges in delivery and storage of biological drugs persist and may delay or prohibit their clinical application. Though nanoparticle-based approaches for small molecule drug encapsulation are mature, encapsulation of proteins remains problematic due to destabilization of the protein. Reverse micelles composed of decylmonoacyl glycerol (10MAG) and lauryldimethylamino-N-oxide (LDAO) in low-viscosity alkanes have been shown to preserve the structure and stability of a wide range of biological macromolecules. Here, we present a first step on developing this system as a future platform for storage and delivery of biological drugs by replacing the non-biocompatible alkane solvent with solvents currently used in small molecule delivery systems. Using a novel screening approach, we performed a comprehensive evaluation of the 10MAG/LDAO system using two preparation methods across seven biocompatible solvents with analysis of toxicity and encapsulation efficiency for each solvent. By using an inexpensive hydrophilic small molecule to test a wide range of conditions, we identify optimal solvent properties for further development. We validate the predictions from this screen with preliminary protein encapsulation tests. The insight provided lays the foundation for further development of this system toward long-term room-temperature storage of biologics or toward water-in-oil-in-water biologic delivery systems.