Four new carboxylates complexes with general formula R2SnL2 and R3SnL, where R = n-butyl (1, 3), methyl (2, 4) and L = 4-Chlorophenoxyacetate, were synthesized in significant yields. FT-IR analysis revealed a chelating (1 and 2) and a bridging bidentate (3 and 4) coordination modes for the carboxylate ligand in solid state which was further confirmed by the single crystal X-ray analysis of complex 4. The NMR data (1H, 13C and 119Sn) revealed a higher coordination number around the tin center in R2SnL2 (1 and 2) compared to R3SnL (3 and 4). A close matching was observed between the experimental and calculated structures (obtained at B3LYP/6-31G* + LANL2DZ basis set). Quantum chemical analysis indicates that the carboxylate moiety has the major contribution in the formation of filled and unfilled orbitals as well as in ligand to ligand intramolecular charge transfer during the electronic transitions. The cytotoxicity data of the screened compounds evaluated against lung cancer cell line (A549) and normal lung fibroblast cell line (MRC-5) revealed that 1, 3 and 4 have shown dose dependent cytotoxic effects while HL and 2 have shown steady and low cytotoxic activities. The antibacterial activity of complexes 1–4 is higher than that of HL. Molecular docking study showed an intercalation binding mode for complex 3 with DNA (docking score = −3.6005) involving four polar interactions. Complex 3 docking with tubulin (PDB ID 1SA0) with colchicine as a target protein resulted in three polar interactions (docking score −5.2957). Further, the docking analysis of the HL and 1–4 has shown an adequate interactions with the coronavirus SARS-CoV-2 spike protein, nucleocapsid protein and human angiotensin converting enzyme (ACE2).
The late Cretaceous Kawagarh Formation has been investigated in terms of field observation, and petrographic analysis, to understand the petrography and its impact on the geotechnical properties. The Kawagarh Formation is well exposed among the upper Indus Basin, and has been studied by various workers in different aspects. Kawagarh Formationexposed in Kahi section of Nizampur Basin has been selected in this study to know the behavior of carbonate rocks for engineering purposes. Lithologically, this formation is composed of thick to medium bedded, highly fractured limestone, marls, and dolomitic limestone which has undertaken diagenetic alteration including dolomite, calcite veins, and stylolites. Followed by petrographic analysis which reveals that the Kawagarh limestone is mostly fossiliferouscomprised of a large number of planktonic foraminifera fossils like Globotruncana Hilli and Globotruncana Linneana fossils. Furthermore, to know the impact of petrographic minerals on engineering behavior, mechanical properties in terms of uniaxial compressive strength (UCS) and uniaxial tensile strength (UTS) were also computed by using a universal testing machine (UTM). The resultant mechanical values lie in the strong compressive strength and suggest their usage for various construction purposes. Aggregate degradation tests including water absorption, specific gravity, aggregate impact value, Los angles abrasion, and soundness was also computed according to the International standard organization, ASTM (American Society for testing materials) and British standard. The aggregate values of the Cretaceous Kawagarh Formation are within the defined standard limits and can be used as an aggregate source for different construction engineering projects.
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