The base-catalysed reaction of 4H-pyran-4-one with a range of nucleophiles, namely diethyl malonate, ethyl acetoacetate, nitromethane, acetylacetone and ethyl cyanoacetate, was developed as a reliable, high yielding method for the preparation of para-substituted phenols. The met…
Quantum Chemical Topology (QCT) descriptors, calculated from ab initio wave functions, have been utilised to model pKa and mutagenicity for data sets of pharmaceutically relevant compounds. The pKa of a compound is a pivotal property in both life science and chemistry since the …
Concerns for microbial contamination and infection to the general population and military personnel have greatly increased due to the increased potential for bio-terrorism and microbial threats to health. Desirable antimicrobials are designed to be environmentally benign, strong…
This Ph.D. dissertation deals with the photocatalytic degradation of toxic dyes and phenol in aqueous suspension of pure and doped semiconductor metal oxides. The nanoparticles such as Pure WO3, ZnO and NiO were synthesized by precipitation and sol gel while noble metal doped se…
Punica granatum L. é um dos frutos comestíveis mais antigos conhecidos, sendo um fruto referenciado em várias culturas e religiões, sendo usada como método terapêutico para diversos problemas de saúde ou como simbolismo. Na atualidade, o desenvolvimento científico veio revelar o…