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Bharathi Avula Babu L. Tekwani Narayan D. Chaurasiya NP Dhammika Nanayakkara Yan‐Hong Wang Shabana I. Khan Vijender R. Adelli Rajnish Sahu Mahmoud A. Elsohly James D. McChesney Ikhlas A. Khan Larry A. Walker 《Journal of mass spectrometry : JMS》2013,48(2):276-285
Therapeutic efficiency and hemolytic toxicity of primaquine (PQ), the only drug available for radical cure of relapsing vivax malaria are believed to be mediated by its metabolites. However, identification of these metabolites has remained a major challenge apparently due to low quantities and their reactive nature. Drug candidates labeled with stable isotopes afford convenient tools for tracking drug‐derived metabolites in complex matrices by liquid chromatography‐tandem mass spectrometry (LC‐MS‐MS) and filtering for masses with twin peaks attributable to the label. This study was undertaken to identify metabolites of PQ from an in vitro incubation of a 1:1 w/w mixture of 13C6‐PQ/PQ with primary human hepatocytes. Acquity ultra‐performance LC (UHPLC) was integrated with QTOF‐MS to combine the efficiency of separation with high sensitivity, selectivity of detection and accurate mass determination. UHPLC retention time, twin mass peaks with difference of 6 (originating from 13C6‐PQ/PQ), and MS‐MS fragmentation pattern were used for phenotyping. Besides carboxy‐PQ (cPQ), formed by oxidative deamination of PQ to an aldehyde and subsequent oxidation, several other metabolites were identified: including PQ alcohol, predictably generated by oxidative deamination of PQ to an aldehyde and subsequent reduction, its acetate and the alcohol's glucuronide conjugate. Trace amounts of quinone‐imine metabolites of PQ and cPQ were also detected which may be generated by hydroxylation of the PQ/cPQ quinoline ring at the 5‐position and subsequent oxidation. These findings shed additional light on the human hepatic metabolism of PQ, and the method can be applied for identification of reactive PQ metabolites generated in vivo in preclinical and clinical studies. Copyright © 2013 John Wiley & Sons, Ltd. 相似文献
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S. K. Tyagi A. K. Pandey S. Sahu V. Bajala J. P. S. Rajput 《Journal of Thermal Analysis and Calorimetry》2013,111(3):1791-1799
This article presents the experimental study and comparative performance evaluation of four types of cook stoves using energy and exergy analysis. Analysis of four different types of cook stove models viz. Envirofit, Mangla, Harsha and Vikram were selected and the water boiling test has been carried out. The suitable biomass available from the local market was prepared in the proper size as described in the Bureau of Indian Standards (BIS) and has been used as the fuel for cook stove in this experimental study. The aluminium pots of proper capacity as per BIS standard have been used for different cook stoves. The data from the experiments was collected and evaluated for the energy and exergy efficiencies for different models. Based on the data analysis it is found that the exergy efficiency is much lower than that of the energy efficiency for all the four models. It is also found that the both the efficiencies of Envirofit model are found to be higher than those of other models studied here. 相似文献
36.
M. Roy S. Sahu S. K. Barbar S. Jangid 《Journal of Thermal Analysis and Calorimetry》2013,113(2):873-879
Polycrystalline ceramic samples of Bi4V2?xMexO11 (Me = Nb, Zr, Y and Cu and x = 0.0 and 0.02) have been synthesized by standard solid state reaction method using high purity oxides. The formation of the compounds have been analysed by X-ray diffraction method. The dielectric constant, dielectric loss and AC conductivity as a function of frequency and temperature have been measured. The dielectric studies indicate that the material is highly lossy and hence its AC conductivity increases with the increase of temperature. The DC conductivity of material has been measured as a function of temperature from room temperature to 380 °C and its activation energy was calculated using the relation σ = σ 0exp (?E a/kT). The modulated differential scanning calorimetry has been used to investigate the effect of substitution on the heat capacity and heat flow of the compounds. The results are discussed in detail. 相似文献
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Kaushik Sen Bhaskar Mondal Srimanta Pakhira Chandan Sahu Deepanwita Ghosh Abhijit K. Das 《Theoretical chemistry accounts》2013,132(8):1-17
The association reaction between silyl radical (SiH3) and H2O2 has been studied in detail using high-level composite ab initio CBS-QB3 and G4MP2 methods. The global hybrid meta-GGA M06 and M06-2X density functionals in conjunction with 6-311++G(d,p) basis set have also been applied. To understand the kinetics, variational transition-state theory calculation is performed on the first association step, and successive unimolecular reactions are subjected to Rice–Ramsperger–Kassel–Marcus calculations to predict the reaction rate constants and product branching ratios. The bimolecular rate constant for SiH3–H2O2 association in the temperature range 250–600 K, k(T) = 6.89 × 10?13 T ?0.163exp(?0.22/RT) cm3 molecule?1 s?1 agrees well with the current literature. The OH production channel, which was experimentally found to be a minor one, is confirmed by the rate constants and branching ratios. Also, the correlation between our theoretical work and experimental literature is established. The production of SiO via secondary reactions is calculated to be one of the major reaction channels from highly stabilized adducts. The H-loss pathway, i.e., SiH2(OH)2 + H, is the major decomposition channel followed by secondary dissociation leading to SiO. 相似文献
38.
Ranjith?Munigunti Symon?Gathiaka Orlando?Acevedo Rajnish?Sahu Babu?Tekwani Angela?I?CalderónEmail author 《Chemistry Central journal》2013,7(1):175
Background
The compounds 1,4-napthoquinone (1,4-NQ), bis-(2,4-dinitrophenyl)sulfide (2,4-DNPS), 4-nitrobenzothiadiazole (4-NBT), 3-dimethylaminopropiophenone (3-DAP) and menadione (MD) were tested for antimalarial activity against both chloroquine (CQ)-sensitive (D6) and chloroquine (CQ)-resistant (W2) strains of Plasmodium falciparum through an in vitro assay and also for analysis of non-covalent interactions with P. falciparum thioredoxin reductase (PfTrxR) through in silico docking studies.Results
The inhibitors of PfTrxR namely, 1,4-NQ, 4-NBT and MD displayed significant antimalarial activity with IC50 values of?<?20 μM and toxicity against 3T3 cell line. 2,4-DNPS was only moderately active. In silico docking analysis of these compounds with PfTrxR revealed that 2,4-DNPS, 4-NBT and MD interact non-covalently with the intersubunit region of the enzyme.Conclusions
In this study, tools for the identification of PfTrxR inhibitors using phenotyphic screening and docking studies have been validated for their potential use for antimalarial drug discovery project.39.
Arghya Sadhukhan Debashis Sahu Dr. Bishwajit Ganguly Dr. Noor‐ul H. Khan Dr. Rukhsana I. Kureshy Dr. Sayed H. R. Abdi Dr. E. Suresh Dr. Hari C. Bajaj 《Chemistry (Weinheim an der Bergstrasse, Germany)》2013,19(42):14224-14232
A chiral oxazoline‐based organocatalyst has been found to efficiently catalyze asymmetric Strecker reactions of various aromatic and aliphatic N‐benzhydrylimines with trimethylsilyl cyanide (TMSCN) as a cyanide source at ?20 °C to give α‐aminonitriles in high yield (96 %) with excellent chiral induction (up to 98 % ee). DFT calculations have been performed to rationalize the enantioselective formation of the product with the organocatalyst in these reactions. The organocatalyst has been characterized by single‐crystal X‐ray diffraction analysis, as well as by other analytical methods. This protocol has been extended to the synthesis of the pharmaceutically important drug molecule levamisole in high yield and with high enantioselectivity. 相似文献
40.
Gayatri Mohanto S. R. Abhilash D. Kabiraj N. Madhavan R. K. Bhowmik 《Journal of Radioanalytical and Nuclear Chemistry》2014,299(2):1129-1131
Targets of isotopically enriched 170Er (erbium) were prepared on 45 μg/cm2 carbon backing using the method of vacuum evaporation. Another layer of carbon with thickness 23 μg/cm2 was deposited on it as a protective cap with the help of an electron gun. Carbon backing, Er and the capping carbon layer were deposited using resistive heating and electron gun deposition without disturbing the vacuum. The thickness of 170Er was measured by X-ray fluorescence analysis as well as with Rutherford backscattering spectrometry and it was found to be 150 μg/cm2. Successful preparation of sandwiched targets was very sensitive to substrate temperature, deposition rate, duration of in situ annealing, cooling rate etc. 相似文献