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An ab initio study of SbH2 and BiH2: The Renner effect, spin-orbit coupling, local mode vibrations and rovibronic energy level clustering in SbH2
(Academic Press Inc Elsevier Science, San Diego, 2016)
We present the results of ab initio calculations for the lower electronic states of the Group 15 (pnictogen) dihydrides, SbH2 and BiH2. For each of these molecules the two lowest electronic states become degenerate at ...
In vitro antitumor activity, metal uptake and reactivity with ascorbic acid and BSA of some gold(III) complexes with N,N′-ethylenediamine bidentate ester ligands
(Elsevier, 2017)
Four novel gold(III) complexes of general formulae [AuCl2{(S,S)-R(2)eddl}]PF6 (R(2)eddl = O,O'-dialkyl-(S,S)-ethylenediamine-N,N'-di-2-(4-methyl)pentanoate, R= n-Pr, n-Bu, n-Pe, i-Bu; 1-4, respectively), were synthesized ...
Influence of annealing temperature on sensitisation behaviour and corrosion properties of an Al-6.8wt% Mg alloy
(Wiley, 2016)
Influence of annealing temperature on beta-(Al3Mg2) phase precipitation and corrosion properties of sensitised Al-6.8wt% Mg alloy is investigated. Sensitisation of specimens annealed at 320 degrees C results in IGC and SCC ...
Experimental and theoretical study on the structure-property relationship of novel 1-aryl-3-methylsuccinimides
(Elsevier, 2017)
A series of ten 1-aryl-3-methylsuccinimides was synthesized and their solvatochromic properties were studied in a set of fifteen binary solvent mixtures. The solute-solvent interactions were analyzed on the basis of the ...
Singlet-triplet interaction in Group 2 M2O hypermetallic oxides
(Academic Press Inc Elsevier Science, San Diego, 2014)
This ab initio study of Group 2 M2O hypermetallic oxides focuses mainly on the two heaviest members, Ba20 and Ra20. In accordance with previous studies in our group on the Be, Mg, Ca and Sr hypermetallic oxides, we find ...
Structural and vibrational analyses of new potential anticancer drug 2-(phenylmethyl)-2-azaspiro[5.11]heptadecane-1,3,7-trione
(Elsevier, 2017)
The establishment of the most stable structures of 2-(phenylmethyl)-2-azaspiro[5.11]heptadecane-1,3,7-trione, potential anticancer and antimicrobial drug has been investigated in this work. A detailed interpretation of ...
Synthesis and biological activity of amino acid derivatives of avarone and its model compound
(Oxford : Pergamon-Elsevier Science Ltd, 2015)
A series of eighteen derivatives of marine sesquiterpene quinone avarone and its model system tert-butylquinone with amino acids has been synthesized by nucleophilic addition of amino acids to the quinones. In vitro cytotoxic ...
Quantum mechanical and spectroscopic (FT-IR, C-13, H-1 NMR and UV) investigations of potent antiepileptic drug 1-(4-chloro-phenyl)-3-phenyl-succinimide
(Oxford : Pergamon-Elsevier Science Ltd, 2014)
This study represents an integrated approach towards understanding the vibrational, electronic, NMR, and structural aspects, and reactivity of 1-(4-chloro-phenyl)-3-phenyl-succinimide (CPPS). A detailed interpretation of ...
Boron-doped diamond electrode - A prestigious unmodified carbon electrode for simple and fast determination of bentazone in river water samples
(Elsevier Science Sa, Lausanne, 2018)
Bentazone (BZ) is selective contact-past herbicide with suspected reproductive toxicity potential for human due to possible contamination of ground and surface waters. This work presents simple, rapid, sensitive and accurate ...
Novel 1,3,4-thiadiazole-chalcone hybrids containing catechol moiety: synthesis, antioxidant activity, cytotoxicity and DNA interaction studies
(Royal Soc Chemistry, Cambridge, 2018)
Hybrid compounds that combine the 1,3,4-thiadiazole-containing catechol moiety with a chalcone motif were synthesized and examined for their antioxidant activity, cytotoxicity, and DNA-binding activity. A series of thirteen ...