Unlocking the biological potential of transition metal complexes with Thiosemicarbazone ligands: Insights from computational studies.

In the previous study, the synthesis and characterization of 4-(3-fluorophenyl)-3-thiosemicarbazide and benzaldehyde derivatives based thiosemicarbazone ligands and their Co(II), Ni(II), Cu(II), Zn(II) complexes were carried out to evaluate their malarial and oxidant and inflammatory inhibition abilities, demonstrating that these compounds have robust efficacy for these ailments. In the present research, to find out a combating agent against breast cancer, tuberculosis, bacterial and fungal ailments, the compounds were tested through MTT, microplate alamar blue and serial dilution protocols. ADMET and DFT investigation were analyzed against highly bioactive compounds (2, 7-10) to give a new insight about compound's reactivity, stability and drug likeness properties. Furthermore, activity results shows that the ligand (2) and its complexes demonstrate greater efficacy compared to ligand (1) and its complexes. The Cu(II) (9) and Zn(II) (10) complexes were observed as highly efficient for breast cancer (MCF-7 cell line), TB (H37Rv strain), bacterial and fungal ailments in comparison of standard drugs with 0.029 ± 0.001 µM IC50 value for (9) in anticancer activity and 0.0034 ± 0.0017 µmol/mL MIC value for (10) in anti-tuberculosis activity. In the molecular docking investigation, the various kind of binding interactions and lowest binding affinity of (9) (against 4RJ3 (-10.0 kcal/mol), 2VCJ (-7.9 kcal/mol)) and (10) (-7.8 and -8.3 kcal/mol for 5V3Y and 3PTY protein) support their bioactivity. This research highlights the pharmaceutical importance of transition metal complexes having thiosemicarbazones, presenting a significant approach for the discovery of potent anti-infectious agent.

Exploration of Optical and Radiative Properties of Fluorinated ß-keto Carboxylate Tb3+ Complexes Emanating Cool Green Light.

Tb3+ complexes with ß-ketocarboxylic acid as main ligand and heterocyclic systems as auxiliary ligand were synthesized and analyzed to assess their prospective relevance as green light emitting material. The complexes were characterized via various spectroscopic techniques and were found to be stable up to ≈ 200 ℃. Photoluminescent (PL) investigation was performed to assess the emissive nature of complexes. Longest luminescence time of decay (1.34 ms) and highest intrinsic quantum efficiency (63.05%) were fetched for complex T5. Color purity of complexes was found to be in range 97.1 - 99.8% which demonstrated the aptness of these complexes in green color display devices. NIR Absorption spectra were employed to evaluate Judd-Ofelt parameters to appraise the luminous performance and environment encircling Tb3+ ions. The JO parameters were found to follow the order: Ω2 > Ω4 > Ω6 and suggested the higher covalence character in complexes. Theoretical branching ratio in the range 65.32 - 72.68%, large stimulated emission cross section and narrow FWHM for 5D4 → 7F5 transition unlocked the relevance of these complexes as a green color laser media. Band gap and Urbach analysis were consummated via enforcing nonlinear curve fit function on absorption data. Two band gaps with values in between 2.02 - 2.93 eV established the prospective use of complexes in photovoltaic devices. Energies of HOMO and LUMO were estimated employing geometrically optimized structures of complexes. Investigation of biological properties accomplished via antioxidant and antimicrobial assays which communicated their applicability in biomedical domain.

Comparative analysis of magnetic induction based communication techniques for wireless underground sensor networks.

A large range of applications have been identified based upon the communication of underground sensors deeply buried in the soil. The classical electromagnetic wave (EM) approach, which works well for terrestrial communication in air medium, when applied for this underground communication, suffers from significant challenges attributing to signal absorption by rocks, soil, or water contents, highly varying channel condition caused by soil characteristics, and requirement of big antennas. As a strong alternative of EM, various magnetic induction (MI) techniques have been introduced. These techniques basically depend upon the magnetic induction between two coupled coils associated with transceiver sensor nodes. This paper elaborates on three basic MI communication mechanisms i.e. direct MI transmission, MI waveguide transmission, and 3D coil MI communication with detailed discussion of their working mechanism, advantages and limitations. The comparative analysis of these MI techniques with each other as well as with EM wave method will facilitate the users in choosing the best method to offer enhanced transmission range (upto 250 m), reduced path loss (<100 dB), channel reliability, working bandwidth (1-2 kHz), & omni-directional coverage to realize the promising MI-based wireless underground sensor network (WUSN) applications.

Estimation of genetic architecture of biochemical traits in mid-late cauliflower (Brassica oleracea L. var. botrytis) under sub-temperate conditions of north western Himalayas.

Understanding the genetic basis of biochemical traits of different cauliflower genotypes is essential for planning the effective breeding strategies in genetic improvement. To determine the mode of inheritance of dry matter content and biochemical traits, we made crosses using four genotypes of cauliflower, and obtained F1, F2, BC1 and BC2 populations. The six generations obtained were replicated thrice and evaluated in a randomized block design. The generation mean analysis of data showed the presence of duplicate epistasis in dry matter content which suggested the adoption of reciprocal recurrent selection and biparental mating for the improvement of the trait. However, in case of vitamin C, complementary type of epistasis was reported in three crosses, which indicated the exploitation of heterosis breeding of enhancing vitamin C. It can be concluded that the role of gene action was in general more complex for the traits studied. The nature and magnitude of gene effects varies character-wise as well as cross-wise. Hence, for the improvement of dry matter content and biochemical traits in a particular cross, a specific breeding strategy has to be implemented.