Faculty of Applied Sciences
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Item Fabrication of copper nanoparticles decorated multiwalled carbon nanotubes as a high performance electrochemical sensor for the detection of neotame(Elsevier, 2015) Bathinapatla, Ayyappa; Kanchi, Suvardhan; Singh, Parvesh; Sabela, Myalowenkosi Innocent; Bisetty, KrishnaA highly sensitive and novel electrochemical sensor for the detection of neotame using differential pulse voltammetry with a modified glassy carbon electrode is presented. The method was further customized by the fabrication of the electrode surface with copper nanoparticles–ammonium piperidine dithiocar-bamate–mutiwalled carbon nanotubes assimilated with β-cyclodextrin. The multiwalled carbon nano-tubes assimilated with β-cyclodextrin/glassy carbon electrode exhibited catalytic activity towards the oxidation of neotame at a potential of 1.3 V at pH 3.0. The transmission electron microscopy, thermogravimetric analysis, frontier transform infrared spectroscopy and cyclic voltammetry were employed to characterize the electrochemical sensor. The sensitivity and detection limits of the electrode increased two-fold in contrast to the β-CD-MWCNTs/GCE sensor. The developed method was successfully applied for the determination of neotame in food samples, with results similar to those achieved by our modified capillary electrophoresis method with a 96% confidence level.Item Analytical evaluation of steviol glycosides by capillary electrophoresis supported with molecular docking studies(Iranian Chemical Society, 2014-05-05) Ayyappa, Bathinapatla; Kanchi, Suvardhan; Singh, Parvesh; Dovey, Martin; Sabela, Myalowenkosi Innocent; Bisetty, KrishnaThis paper reports on a newly developed elec-trokinetic chromatographic method for the simultaneous separation and determination of steviol glycosides in real stevia samples by capillary electrophoresis and supported by molecular docking studies. Our results obtained using 30-mM heptakis-(2,3,6-tri-o-methyl betacyclodextrin) as a separating agent, suggest that at optimum experimental conditions the detection limits of 2.017 9 10-5 and 7.386 9 10-5 M and relative standard deviations (n = 5) of 1.10 and 1.17 were obtained for rebaudioside-A and stevioside, respectively. In addition, the molecular docking studies explained to a certain extent why the separation was successful. The calculated binding free energy results for the rebaudioside-A and stevioside complexes formed with the separating agent showed that although both ligands penetrated deeply into the hydrophobic cavity of the sep-arating agent, the presence of additional hydrogen bonding in the case of stevioside is probably responsible for its stronger binding affinity than that of rebaudioside-A.Item Urea/oxalamide tethered b-lactam-7-chloroquinoline conjugates: Synthesis and in vitro antimalarial evaluation(Elsevier, 2013-11-09) Singh, Pardeep; Raj, Raghu; Singh, Parvesh; Gut, Jiri; Rosenthal, Philip J.; Kumar, VipanThe manuscript pertains to the synthesis of urea/oxalamide tethered b-lactam-7-chloroquinoline con-jugates with well modulated chain lengths and their antimalarial evaluation. The results reveal the dependence of activity profiles on the N-1 substituent of the b-lactam ring, the nature of the linker as well as the length of the alkyl chain. The most potent of the tested compounds showed an IC50 of 34.97 nM against chloroquine resistant W2 strain of Plasmodium falciparum.Item Role of N-terminal residues on folding and stability of C-phycoerythrin : simulation and urea-induced denaturation studies(Taylor and Fancis, 2013) Anwer, Khalid; Sonani, Ravi; Madamwar, Datta; Singh, Parvesh; Khan, Faez; Bisetty, Krishna; Ahmad, Faizan; Imtaiyaz Hassan, M. D.The conformational state of biliproteins can be determined by optical properties of the covalently linked chromophores. Recently determined crystal structure of truncated form of α-subunit of cyanobacterial phycoerythrin (αC-PE) from Phormidium tenue provides a new insight into the structure–function relationship of αC-PE. To compare their stabilities, we have measured urea-induced denaturation transitions of the full length αC-PE (FL-αC-PE) and truncated αC-PE (Tr-αC-PE) followed by observing changes in absorbance at 565 nm, fluorescence at 350 and 573 nm, and circular dichroism at 222 nm as a function of [urea], the molar concentration of urea. The transition curve of each protein was analyzed for ΔGD0, the value of Gibbs free energy change on denaturation (ΔGD) in the absence of urea; m, the slope (=∂ΔGD/∂[urea]), and Cm, the midpoint of the denaturation curve, i.e. [urea] at which ΔGD = 0. A difference of about 10% in ΔGD0 observed between FL-αC-PE and Tr-αC-PE, suggests that the two proteins are almost equally stable, and the natural deletion of 31 residues from the N-terminal side of the full length protein does not alter its stability. Furthermore, normalization of probes shows that the urea-induced denaturation of both the proteins is a two-state process. Folding of both structural variants (Tr-αC-PE and FL-αC-PE) of P. tenue were also studied using molecular dynamics simulations at 300 K. The results show clearly that the stability of the proteins is evenly distributed over the whole structure indicating no significant role of N-terminal residues in the stability of both proteins.Item Dithiocarbamates as hazardous remediation agent : a critical review on progress in environmental chemistry for inorganic species studies of 20th century(Saudi Chemical Society, 2014-01) Kanchi, Suvardhan; Singh, Parvesh; Bisetty, KrishnaThis article provides a critical review and a wide range of applications of dithiocarbamates (DTCs) in environmental samples. The characteristics of DTCs are reviewed with particular emphasis on inorganic speciation studies using state-of-the-art analytical instrumentation coupled with computational methods of analysis.Item Polarographic catalytic hydrogen wave technique for the determination of copper(II) in leafy vegetables and biological samples†(ESG, 2013-03-01) Kanchi, Suvardhan; Singh, Parvesh; Sabela, Myalowenkosi Innocent; Naidu, N. Venkatasubba; Bisetty, KrishnaAn economical, novel, eco-friendly and robust method for the quantification of copper(II) in various leafy vegetables, milk and blood samples has been developed using direct current catalytic hydrogen wave (DC-CHW) technique involving the formation of ammonium salts of piperidine/morpholine dithiocarbamates metal complex. Ammonium piperidine/morpholine dithiocarbamates complexed with copper(II) in the presence of NH4Cl-NH4OH medium at pH 6.5±1 produces CHW’s at -0.35±1 V vs SCE. Consequently, various optimal parameters such as preparation medium, effect of pH, ligand concentration, metal ion concentration and indifferent ions effect on peak height were optimized to enhance the sensitivity and selectivity. The novel aspect in the work address the interaction of ammonium piperidine/morpholine dithiocarbamates with copper(II) were confirmed with cyclic voltammetry (CV) and supported by computational calculations using Density Functional Theory (DFT) methods. Furthermore, the student “t”-test and variance ratio “f”-tests indicated no significant difference between the present method and the differential pulse polarographic (DPP) method.Item Evaluation of enantioresolution of (±)-catechin using electrokinetic chromatography and molecular docking(SRP, 2012) Sabela, Myalowenkosi Innocent; Singh, Parvesh; Gumede, Njabulo Joyfull; Bisetty, Krishna; Sagrado, SagradoThis study involves the enantioresolution of (±) catechin with the highly sulphated beta cyclodextrin (HS-β-CD) as a chiral selector using capillary electrophoresis (CE). The purpose of this study was to be tter understand enantioresolution amongst host-guest interactions. Furthermore, molecular docking was carried out to elucidate the mechanism of the enantioselective separations of (±) catechin enantiomers obtained in Electrokinetic chroma tography (EKC). A large difference in the interaction energies observed between the two enantiomers represents significant enantiodifferentiation. Our results also suggest that the host-guest interactions between the phenyl ring of the ligand and the open cavity of the HS-β-CD are due mainly to hydrophobic interactions. Interestingly, the stronger interactions observed with (+)-catechin is consistent with the elution order observed in the CE experiments.Item Azide-alkyne cycloaddition en route to 1H-1,2,3-triazole-tethered 7-chloroquinoline-isatin chimeras : synthesis and antimalarial evaluation(Elsevier, 2013-04) Raj, Raghu; Singh, Pardeep; Singh, Parvesh; Gut, Jiri; Rosenthal, Philip J.; Kumar, VipanWe describe the synthesis and antimalarial activities of 1H-1,2,3-triazole tethered 7-chloroquinoline-isatin hybrids. Activity against cultured parasites was dependent on the C-5 substituent of the isatin ring as well as the alkyl chain length between the isatin and 7-chloroquinoline moieties. Compound 8h, with an optimum alkyl chain length (n = 3) and a chloro substituent at the C-5 position of the isatin ring, displayed the best activity among the test compounds, with IC50 value of 1.21 μM against cultured W2-strain Plasmodium falciparum.Item Cycloaddition reactions of Azatrienes with Sulfene(Scientific Research, 2012-04-23) Bisetty, Krishna; Singh, ParveshUnprecedented cycloaddition reactions of azatrienes (1) with sulfene leading to the synthesis of functionalized thiazine-dioxide derivatives (5) are described. The reactions were found be highly regioselective resulting in the formation of only [4 + 2] cycloadducts.Item Preparation, spectrochemical, and computational analysis of L-Carnosine (2-[(3-Aminopropanoyl)amino]-3-(1H-imidazol-5- yl)propanoic Acid) and Its Ruthenium (II) coordination complexes in aqueous solution(MDPI, 2011-12-09) Branham, Michael Lee; Bisetty, Krishna; Sabela, Myalowenkosi Innocent; Govender, Thirumala; Singh, ParveshThis study reports the synthesis and characterization of novel ruthenium (II) complexes with the polydentate dipeptide, L-carnosine (2-[(3-aminopropanoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid). Mixed-ligand complexes with the general composition [MLp(Cl)q(H2O)r]·xH2O (M = Ru(II); L = L-carnosine; p = 3 − q; r = 0–1; and x = 1–3) were prepared by refluxing aqueous solutions of the ligand with equimolar amounts of ruthenium chloride (black-alpha form) at 60 °C for 36 h. Physical properties of the complexes were characterized by elemental analysis, DSC/TGA, and cyclic voltammetry. The molecular structures of the complexes were elucidated using UV-Vis, ATR-IR, and heteronuclear NMR spectroscopy, then confirmed by density function theory (DFT) calculations at the B3LYP/LANL2DZ level. Two-dimensional NMR experiments (1H COSY, 13C gHMBC, and 15N gHMBC) were also conducted for the assignment of chemical shifts and calculation of relative coordination-induced shifts (RCIS) by the complex formed. According to our results, the most probable coordination geometries of ruthenium in these compounds involve nitrogen (N1) from the imidazole ring and an oxygen atom from the carboxylic acid group of the ligand as donor atoms. Additional thermogravimetric and electrochemical data suggest that while the tetrahedral-monomer or octahedral-dimer are both possible structures of the formed complexes, the metal in either structure occurs in the (2+) oxidation state. Resulting RCIS values indicate that the amide-carbonyl, and the amino-terminus of the dipeptide are not involved in chelation and these observations correlate well with theoretical shift predictions by DFT.