Synthesis,Characterization, and in vitro Antibacterial Evaluation of Barbituric Acid Derivatives

Russian Journal of Organic Chemistry - A series of 5,5′-(arylmethylene)bis[1,3-dimethyl-6-(methylamino)pyrimidine-2,4(1H,3H)-diones] have been synthesized by 2: 1 condensation of...     

An Unexpected Role of Hyaluronic Acid in Trafficking siRNA Across the Cellular Barrier: The First Biomimetic,Anionic, Non‐Viral Transfection Method

Circulating nucleic acids, such as short interfering RNA (siRNA), regulate many biological processes; however, the mechanism by which these molecules enter the cell is poorly understood. The role of extracellular‐matrix‐derived polymers in binding siRNAs and trafficking them across the plasma membrane is reported. Thermal melting, dynamic light scattering, scanning electron microscopy, and computational analysis indicate that hyaluronic acid can stabilize siRNA via hydrogen bonding and Van der Waals interactions. This stabilization facilitated HA size‐ and concentration‐dependent gene silencing in a CD44‐positive human osteosarcoma cell line (MG‐63) and in human mesenchymal stromal cells (hMSCs). This native HA‐based siRNA transfection represents the first report on an anionic, non‐viral delivery method that resulted in approximately 60 % gene knockdown in both cell types tested, which correlated with a reduction in translation levels.     

Tuning density profiles and mobility of inhomogeneous fluids

Density profiles are the most common measure of inhomogeneous structure in confined fluids, but their connection to transport coefficients is poorly understood. We explore via simulation how tuning particle-wall interactions to flatten or enhance the particle layering of a model confined fluid impacts its self-diffusivity, viscosity, and entropy. Interestingly, interactions that eliminate particle layering significantly reduce confined fluid mobility, whereas those that enhance layering can have the opposite effect. Excess entropy helps to understand and predict these trends.     

Adiabatic small polaron-hopping conduction in Ln0.85Ca0.15MnO3 (Ln=Nd, Pr and Sm) perovskites

Polycrystalline bulk ferromagnetic insulating (FMI) Ln_0.85Ca_0.15MnO₃ (Ln=Nd, Pr and Sm) samples are prepared by standard solid-state reaction route and characterized. Powder X-ray diffraction (XRD) data of the manganites show single-phase character. Existing theoretical models predict that the high temperature (T>θ_D/2, θ_D being the Debye temperature) dc conductivity (σ_dc) of these samples is due to adiabatic small polaron-hopping conduction. Greaves’ and Mott's variable range hopping (VRH) conduction mechanisms are not suitable to explain the σ_dc data at low temperature (T<θ_D/2).     

Ion-acoustic solitary waves in a dense pair-ion plasma containing degenerate electrons and positrons

Fully nonlinear propagation of ion-acoustic solitary waves in a collisionless dense/quantum electron–positron–ion plasma is investigated. The electrons and positrons are assumed to follow the Thomas–Fermi density distribution and the ions are described by the hydrodynamic equations. An energy balance-like equation involving a Sagdeev-type pseudo-potential is derived. Finite amplitude solutions are obtained numerically and their characteristics are discussed. The small-but finite-amplitude limit is also considered and an exact analytical solution is obtained. The present studies might be helpful to understand the excitation of nonlinear ion-acoustic solitary waves in a degenerate plasma such as in superdense white dwarfs.     

Electron heating by the magnetic field-aligned electron-cyclotron waves in plasmas

It is shown that resonant nonlinear interactions between the magnetic-field aligned right-hand circularly polarized electromagnetic (CPEM) electron-cyclotron waves and electrons can produce electron temperature anisotropy due to the stochastic electron heating by waves in magnetized plasmas. The present result can thus account for the simultaneous presence of CPEM waves and an anisotropic electron temperature distribution in laboratory and space magnetoplasmas.     

Formation of bifunctional cross-linked products due to reaction of NAMI-A with DNA bases – a DFT study

Structural Chemistry - It is reported that NAMI-A and other Ru-anticancer complexes preferably bind with the N7 site of guanine and can also form DNA inter-strand cross-links. Therefore, in order...     

Ionic Assembly,Anion–π, Magnetic,and Electronic Attributes of Ambient Stable Naphthalenediimide Radical Ions

Organic spin-based molecular materials are considered to be attractive for the generation of functional materials with emergent optoelectronic, magnetic, or magneto-conductive properties. However, the major limitations to the utilization of organic spin-based systems are their high reactivity, instability, and propensity for dimerization. Herein, we report the synthesis, characterization, and magnetic and electronic studies of three ambient stable radical ions ( 1 a^.+ , 1 b^.+ , and 1 c^.+ ). The radical ions 1 b^.+ and 1 c^.+ with BPh₄⁻ and BF₄⁻ counter anions, respectively, were synthesized in excellent yields by means of anion metathesis of 1 a^.+ with Br⁻ as its counter anion. Notably, synthesis of 1 a^.+ was achieved in an ecofriendly, solvent-free protocol. The radical ions were characterized by means of single-crystal X-ray diffraction studies, which revealed the discrete nature of the radical ions and extensive hydrogen-bonding interactions within the radical ions and with the counter anions. Thus, radical ions can be organized to form infinite supramolecular arrays using weak noncovalent interactions. In addition, the Br⁻, BF₄⁻, and BPh₄⁻ anions formed diverse types of anion–π interactions with the naphthalene and imide rings of the radical ions. The radical ions were characterized by means of X-band electron paramagnetic resonance (EPR) spectroscopy in solution and in the solid state. Magnetic studies revealed their paramagnetic nature in the range of 10 to 300 K. The radical ions exhibited high resistivity approaching the gigaohm (GΩ) scale. In addition, the radical ions exhibited panchromism.     

Meticulous assessment of natural compounds from NPASS database for identifying analogue of GRL0617, the only known inhibitor for SARS-CoV2 papain-like protease (PLpro) using rigorous computational workflow

Molecular Diversity - The latest global outbreak of 2019 respiratory coronavirus disease (COVID-19) is triggered by the inception of novel coronavirus SARS-CoV2. If recent events are of any...