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The physical properties of lunar regolith are crucial for exploration planning, hazard assessment, and characterizing scientific targets at global and polar scales. The dielectric constant, a key property, offers insights into lunar material distribution within the regolith and serves as a proxy for identifying volatile-rich regoliths. Miniature radio frequency (Mini-RF) on the Lunar Reconnaissance Orbiter (LRO) provides a potential tool for mapping the lunar regolith's physical nature and assessing the lunar volatile repository. This study presents global and polar S-band Mini-RF dielectric signatures of the Moon, obtained through a novel deep learning inversion model applied to Mini-RF mosaics. We achieved good agreement between training and testing of the model, yielding a coefficient of determination (R2 value) of 0.97 and a mean squared error of 0.27 for the dielectric constant. Significant variability in the dielectric constant is observed globally, with high-Ti mare basalts exhibiting lower values than low-Ti highland materials. However, discernibility between the South Pole–Aitken (SPA) basin and highlands is not evident. Despite similar dielectric constants on average, notable spatial variations exist within the south and north polar regions, influenced by crater ejecta, permanently shadowed regions, and crater floors. These dielectric differences are attributed to extensive mantling of lunar materials, impact cratering processes, and ilmenite content. Using the east- and west-looking polar mosaics, we estimated an uncertainty (standard deviation) of 1.01 in the real part and 0.03 in the imaginary part of the dielectric constant due to look direction. Additionally, modeling highlights radar backscatter sensitivity to incidence angle and dielectric constant at the Mini-RF wavelength. The dielectric constant maps provide a new and unique perspective of lunar terrains that could play an important role in characterizing lunar resources in future targeted human and robotic exploration of the Moon. [ABSTRACT FROM AUTHOR]

We have done geometry optimization of two conformers of Lantadene series C and D. The fundamental vibrational frequencies with intensity have been done by using B3LYP/6-311G (d, p) method. The complete vibrational assignments of wavenumbers are made on the basis of potential energy distribution (PED). The nonbonding interactions in Lantadenes C and D are calculated by using the same level theory at the bond critical point (BCP). The calculated topological parameters at BCP are utilized to determine the nature and strength of interactions. We have also computed HOMO–LUMO gap and plotted frontier orbital HOMO–LUMO surfaces, molecular electrostatic potential surfaces to explain the reactive nature of Lantadenes C and D. The electronic transition spectra UV–Vis spectra of Lantadenes C and D are calculated by using TDDFT theory. The values of hyperpolarizability show a probable use of these compounds in electro-optical applications. The natural bonding orbital theory is utilized to calculate transition of electron from donor to acceptor which is very useful to describe nonbonding as well as bonding interactions. The calculated value of Log P and Log S for Lantadene C Lantadene D established its pharmaceutical behaviors. The biological activity of Lantadenes C and D is also calculated by using PASS online server for Pa > 7 0 %. The docking of Lantadene C Lantadene D is also performed by using Auto dock with predicted drug by Swiss dock online server. [ABSTRACT FROM AUTHOR]

The compound 3,4‐diaminopyridine (3,4‐AP), a derivative of 4‐aminopyridine (4‐AP), is used in the symptomatic treatment of fatigue in multiple sclerosis as well as Lambert–Eaton myasthenia syndrome whereas the parent compound 4‐AP is used as an acetylcholine‐releasing drug, in serum, saliva, and urine. 4‐AP is an experimental drug that may reduce symptoms in some people with multiple sclerosis, particularly those who are more sensitive to heat. The carbon nanotubes (CNTs) have inside cavity tethering on the surface upon functionalization and adsorption on the walls of CNTs, which provides extra ability to carry pharmaceutical agents through multiple ways. Due to these benefits, this communication will discuss the comparative changes in geometry, electronic properties, and shielding parameters of 4‐AP and 3,4‐AP absorbed C56H16. The DFT/B3LYP/6–31G (d, p) method is used for the first time to report electronic structure and interaction parameters on the CNT surface. The same level theory is used to discuss the thermodynamic stability of CNT‐4‐AP/3,4‐AP. The calculated UV spectra of CNT are compared with UV spectra of CNT‐4‐AP and 3,4‐AP by using the same level theory in a water solvent, which provides a better comprehension of CNT as a drug delivery system after absorption of the 4‐AP and 3,4‐AP in the human body. The nature and strength of interactions have been discussed with the help of AIM analysis, and the frontier orbital highest occupied molecular orbital–lowest unoccupied molecular orbital (HOMO–LUMO) gap, chemical softness, and chemical hardness have been calculated to understand its complete chemical properties. The characters of the frontier molecular orbitals are discussed and analyzed by comparing the DOS spectra of CNT with CNT‐4‐AP/3,4‐AP. [ABSTRACT FROM AUTHOR]