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21.
Ganesh Narayanan Yavuz Caydamli Halil Tekinalp Ishita Matai Ramiz Boy Ching-Chang Chung Jialong Shen Bhupender S. Gupta Alan E. Tonelli 《Journal of polymer science. Part A, Polymer chemistry》2018,56(22):1529-1537
Three pseudorotaxanes (PpR) comprised of poly (ε-caprolactone) (PCL) and α-cyclodextrin (α-CD) with varying stoichiometric ratios were synthesized and characterized. Wide-angle X-ray diffraction (WAXD) and thermogravimetric (TGA) analyses provided conclusive evidence for complexation between the guest PCL and host α-CD. The as-synthesized and characterized PpRs were used at 10 and 20% concentrations as nucleants to promote the bulk PCL crystallization in composite films. Both WAXD and TGA provided evidence for intact PpR structures in the composite films. Isothermal differential scanning calorimetric (I-DSC) analyses, performed at various crystallization temperatures demonstrated significant differences in the crystallization patterns among the composite films. In addition, I-DSC analyses showed higher Avrami constant values (n) in the PpR-nucleated composite PCL films (n ~ 3), indicating 3-dimensional crystal growth. In the case of neat PCL films, however, lower n values indicated crystal growth in 1-dimensions or 2-dimensions. Moreover, atomic force microscopic analyses showed large crests and pits in PpR-nucleated PCL composites, with irregular morphologies leading to higher surface roughness. To the contrary, the crests and pits were much smaller in the neat PCL films, resulting in lower surface roughness values. Finally, mechanical testing revealed higher tensile strength for PpR-nucleated PCL composites films, demonstrating larger load bearing capabilities. © 2018 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2018 , 56, 1529–1537 相似文献
22.
Manjushree Senapati Narayan C. Samal Ranu Mishra Swoyam P. Rout Lalit N. Patnaik Mahendra K. Rout 《高分子科学杂志,A辑:纯化学与应用化学》2013,50(5-6):567-575
The present investigation aims at estimating the retarding effect of acetophenone in the polymerization of methyl methacrylate initiated by α,α' -azobisisobutyronitrile in the temperature range of 50 to 80°C. The results are interpreted in terms of Tüdös kinetic parameter (β). The effects of varying concentrations of substrate, monomer, initiator, and salts have been investigated. A suitable reaction scheme and rate expression have been suggested on the basis of the experimental findings, and another kinetic parameter (K) to represent the reactivity of acetophenones toward the polymer radical has been obtained graphically. 相似文献
23.
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
24.
Narayan C. Chaudhuri 《合成通讯》2013,43(20):3783-3790
4-Alkyl-2-bromoanilines and 4-alkoxy-2-chloroanilines were synthesized conveniently and submitted to cyclization reaction with potassium O-ethyl dithiocarbonate to afford 6-substituted 2(3H)-benzothiazolethiones in good yields. 相似文献
25.
D. Doddramappa Shridevi Srikantamurthy Ningaiah Narayan U. Kuduva Raad K. Yhya Kuriya M. Lokanatha Rai 《合成通讯》2013,43(24):2869-2875
A solvent-free, clean, and efficient method has been developed for the synthesis of 2,5-disubstituted-1,3,4-thiadiazoles via azines. This approach exploits the synthetic potential of clean reactions and offers many advantages such as excellent product yields, easy isolation of products, and ecofriendly benign reaction conditions. The newly synthesized compounds were analyzed by infrared, 1H NMR, 13C NMR, and elemental analysis. 相似文献
26.
The complexation equilibria of Fe(III) with two buffer families, which are ubiquitous in biological system studies, were studied by potentiometric measurements at a constant ionic strength of I = 0.1 mol·dm?3 NaNO3 in aqueous solutions at 298.15 K. The members of TRIS family are tris(hydroxymethyl)aminomethane (TRIS), N-[tris(hydroxymethyl)methyl]-2-aminoethanesulfonic acid (TES), N-[tris(hydroxymethyl)methyl]-3-aminopropanesulfonic acid (TAPS), N-[tris(hydroxymethyl)methyl]-3-amino-2-hydroxypropanesulfonic acid (TAPSO), and N-tris(hydroxymethyl)methyl-4-aminobutanesulfonic acid (TABS) buffers. The members of morpholine family are 4-morpholineethanesulfonic acid (MES), 4-morpholinepropanesulfonic acid (MOPS), 3-morpholino-2-hydroxypropanesulfonic acid (MOPSO), and 4-(N-morpholino) butanesulfonic acid (MOBS) buffers. The overall stability constants were determined from pH-metric data using the least-squares curve-fitting program HYPERQUAD 2008. Based on the best-fit results, the species formed at equilibrium are ML, ML2, ML2H?1, and ML3 in the systems with TRIS family buffers. The complex species ML, ML2, ML2H?1, and MLH?1 are formed in the MOPSO-containing system, while ML, ML2, and ML2H?1 are formed in the systems with MES, MOPS, and MOBS. The stabilities of the complexes fall in the order TABS > TRIS > TAPS > TAPSO > TES and MOBS > MOPS > MOPSO > MES for the TRIS family and morpholine families, respectively. 相似文献
27.
Vijay Narayan Anoop Kumar Pandey Apoorva Dwivedi Benard Samwel Mwankemwa Avantika Maurya Ankit Kumar Sharma Vijay Singh 《印度化学会志》2022,99(8):100580
Uracil mustard belongs to the nitrogen mustard family and is primarily used in anticancer drugs. The research that follows, investigates many quantum chemical features such as the computation of global minimum energies with no negative wavenumber values using the Density Functional Theory (DFT) with Becke three functional and 6-311G (d, p)/6–311++G (d, p) basis sets. All the vibrational modes have been calibrated and justified in comparison to their experimental counterparts. Mustard's polarizability and hyperpolarizability components, Natural Bond Analysis (NBO), electronic properties, Fukui function analysis, various global parameters, Quantum Theory of Atoms In Molecule (QTAIM) analysis, ADMET analysis, and docking analysis have all been investigated using the same theory and basis sets, indicating its biochemical significance. The biological activity of the molecule is reported by using PASS software. The Full fitness score and binding affinity parameters are utilized to determine the binding strength with 6cq3 protein. The acidity of the title molecule is calculated in water solvent by polarizable continuum model (PCM) solvent effects (estimated in water). The HOMO, LUMO, and MESP plots are used to explore the nature of binding and surfaces. The Fukui functions are computed using Mulliken atomic charges for neutral atoms, cations, and anions. The Ultraviolet–visible (UV–vis) of the molecule is computed employing the TD-DFT method. 相似文献
28.
Valentina Grumezescu Irina Negut Rodica Cristescu Alexandru Mihai Grumezescu Alina Maria Holban Florin Iordache Mariana Carmen Chifiriuc Roger J. Narayan Douglas B. Chrisey 《Molecules (Basel, Switzerland)》2021,26(12)
Staphylococcus aureus (Gram-positive) and Pseudomonas aeruginosa (Gram-negative) bacteria represent major infectious threats in the hospital environment due to their wide distribution, opportunistic behavior, and increasing antibiotic resistance. This study reports on the deposition of polyvinylpyrrolidone/antibiotic/isoflavonoid thin films by the matrix-assisted pulsed laser evaporation (MAPLE) method as anti-adhesion barrier coatings, on biomedical surfaces for improved resistance to microbial colonization. The thin films were characterized by Fourier transform infrared spectroscopy, infrared microscopy, and scanning electron microscopy. In vitro biological assay tests were performed to evaluate the influence of the thin films on the development of biofilms formed by Gram-positive and Gram-negative bacterial strains. In vitro biocompatibility tests were assessed on human endothelial cells examined for up to five days of incubation, via qualitative and quantitative methods. The results of this study revealed that the laser-fabricated coatings are biocompatible and resistant to microbial colonization and biofilm formation, making them successful candidates for biomedical devices and contact surfaces that would otherwise be amenable to contact transmission. 相似文献
29.
Somnath Narayan Karad Prof. Dr. Rai‐Shung Liu 《Angewandte Chemie (International ed. in English)》2014,53(21):5444-5448
We report the first success in the gold‐catalyzed oxoarylations of nitriles with pyridine‐derived N‐oxides using gold carbenes as initiators. These oxoarylations were also achieved satisfactorily in intermolecular three‐component oxidations, including diverse alkenyldiazo esters, nitriles, and pyridine‐based oxides. 相似文献
30.
Narayan D. Chaurasiya Jacob Midiwo Pankaj Pandey Regina N. Bwire Robert J. Doerksen Ilias Muhammad Babu L. Tekwani 《Molecules (Basel, Switzerland)》2020,25(22)
A set of structurally related O-methylated flavonoid natural products isolated from Senecio roseiflorus (1), Polygonum senegalense (2 and 3), Bhaphia macrocalyx (4), Gardenia ternifolia (5), and Psiadia punctulata (6) plant species were characterized for their interaction with human monoamine oxidases (MAO-A and -B) in vitro. Compounds 1, 2, and 5 showed selective inhibition of MAO-A, while 4 and 6 showed selective inhibition of MAO-B. Compound 3 showed ~2-fold selectivity towards inhibition of MAO-A. Binding of compounds 1–3 and 5 with MAO-A, and compounds 3 and 6 with MAO-B was reversible and not time-independent. The analysis of enzyme-inhibition kinetics suggested a reversible-competitive mechanism for inhibition of MAO-A by 1 and 3, while a partially-reversible mixed-type inhibition by 5. Similarly, enzyme inhibition-kinetics analysis with compounds 3, 4, and 6, suggested a competitive reversible inhibition of MAO-B. The molecular docking study suggested that 1 selectively interacts with the active-site of human MAO-A near N5 of FAD. The calculated binding free energies of the O-methylated flavonoids (1 and 4–6) and chalcones (2 and 3) to MAO-A matched closely with the trend in the experimental IC50′s. Analysis of the binding free-energies suggested better interaction of 4 and 6 with MAO-B than with MAO-A. The natural O-methylated flavonoid (1) with highly potent inhibition (IC50 33 nM; Ki 37.9 nM) and >292 fold selectivity against human MAO-A (vs. MAO-B) provides a new drug lead for the treatment of neurological disorders. 相似文献