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91.
Souvik Guha Ibrahim Yussif El-Deeb Shalini Yadav Ranajit Das Dr. Kshatresh Dutta Dubey Mousumi Baruah Dr. Ludovic Gremaud Prof. Dr. Subhabrata Sen 《Chemistry (Weinheim an der Bergstrasse, Germany)》2022,28(63):e202202405
Herein we have reported the discovery of a pentacyclic building block comprised of fused indole-quinoline and piperidinone from the natural product perophoramidine as a formidable anticancer agent. The compounds were synthesized in six steps where the key steps involved a blue LED mediated intramolecular cyclopropanation of the indole intermediates and concomitant reduction of the associated aryl nitro moiety to nitroso in the molecule. Cytotoxicity screening of the compounds against an array of cancer cells that is, MCF7, HCT116 and A549 demonstrated 0.6 to 9 μM IC50s by few of the compounds. γH2AX immunofluorescence assay of the two most potent molecules from the phenotypic screening with anti-γ-H2AX Alexa Fluor 488 antibody revealed extensive DNA damage of the A549 cells which indicated probable PARP inhibition (similar to Perophoramidine). Through molecular docking and molecular dynamic (MD) simulation studies the binding efficiency of our compounds with poly(ADP-ribose)polymerase 1 (PARP 1) enzyme was determined. Chemiluminescent PARP Assay with Histone-coated strips indicated that the most active compounds from the phenotypic screening induced PARP-1 inhibition with IC50s of 1.3→1.5 μM. 相似文献
92.
S. Guha D. Adil N. B. Ukah R. K. Gupta K. Ghosh 《Applied Physics A: Materials Science & Processing》2011,105(3):547-554
Matrix-assisted pulsed-laser evaporation (MAPLE) provides a mechanism for layer-by-layer growth to control the polymer–dielectric
interface in organic metal–insulator–semiconductor (MIS) diodes and field-effect transistors (FETs). MAPLE-deposited copolymers
of polyfluorene (PF) and polythiophene maintain their structural and optical properties, as determined by Raman spectroscopy,
absorption, and photoluminescence. These films are further utilized in MIS and FET structures with SiO2 and other polymer dielectrics. Since common polymer dielectrics prevent spin coating of solution processable polymers due
to solubility effects, MAPLE is one of the only deposition techniques for investigating all polymer semiconductor-insulator
interfaces. In this paper we present optical and electrical studies of MAPLE-deposited PF and polythiophene films in FETs
and MIS structures. The FET carrier mobilities of these devices compare well with spin-coated devices. Capacitance–voltage
and conductance–voltage from MIS structures with MAPLE-deposited PF copolymer films yield interface trap densities in the
low 1012 eV−1 cm−2 range. 相似文献
93.
A single pulse-mediated electrofusion of freely suspending widely separated cells could reduce steps in the protocol. Prediction of such electrofusion is still unsolved. In pre-pulse condition, quantitative estimation with three-layered model cell surface reveals electrostatic repulsion (due to negative surface charge) is the major hindrance to membrane-to-membrane contact. On theoretical grounds we predict that designed single high voltage pulsing on widely separated model cell surface can counteract the non-specific repulsive interaction and favor approach of two apposed membranes. But hydrodynamic modulation of pulse exposed cell surface interaction can hamper approach of membranes contact when cells are held at a gap of more than approximately 450 A. 相似文献
94.
95.
We report on the use of large-scale distributed computing simulation and novel analysis techniques for examining the dynamics of a small protein. Matters addressed include folding rate, very long time scale kinetics, ensemble properties, and interaction with water. The target system for the study, the villin headpiece, has been of great interest to experimentalists and theorists both. Sampling totaled nearly 500 mus-the most extensive published to date for a system of villin's size in explicit solvent with all atom detail-and was in the form of tens of thousands of independent molecular dynamics trajectories, each several tens of nanoseconds in length. We report on kinetics sensitivity analyses that, using a set of short simulations, probed the role of water in villin's folding and sensitivity to the simulation's electrostatics treatment. By constructing Markovian state models (MSMs) from the collected data, we were able to propagate dynamics to times far beyond those directly simulated and to rapidly compute mean first passage times, long time kinetics (tens of microseconds), and evolution of ensemble property distributions over long times, otherwise currently impossible. We also tested our MSM by using it to predict the structure of villin de novo. 相似文献
96.
The beta phase in di-octyl substituted polyfluorene (PF8) exhibits a surprising level of conformational order at nanometer length scales compared to other phases. We present Raman scattering studies of PF8 as a function of thermal cycling, which establishes a connection between the conformational isomers and the side and main chain morphology. Density-functional calculations of the vibrational spectra of single chain oligomers in conjunction with the experimental results demonstrate the incompatibility of the beta phase with the overall alpha crystalline phase in PF8. 相似文献
97.
Pradeep K. Jha Rakhi Jha B.L. Gupta Sujoy K. Guha 《Radiation Physics and Chemistry》2010,79(5):663-671
Functional necessity to use a particular range of dose rate and total dose of γ-initiated polymerization to manufacture a novel polymeric hydrogel RISUG® (reversible inhibition of sperm under guidance) made of styrene maleic anhydride (SMA) dissolved in dimethyl sulphoxide (DMSO), for its broad biomedical application explores new dimension of research. The present work involves 16 irradiated samples. They were tested by fourier transform infrared spectroscopy, matrix assisted laser desorption/ionization–TOF, field emission scanning electron microscopy, high resolution transmission electron microscopy, etc. to see the interrelation effect of gamma dose rates (8.25, 17.29, 20.01 and 25.00 Gy/min) and four sets of doses (1.8, 2.0, 2.2 and 2.4 kGy) on the molecular weight, molecular weight distribution and porosity analysis of the biopolymeric drug RISUG®. The results of randomized experiment indicated that a range of 18–24 Gy/min γ-dose rate and 2.0–2.4 kGy γ-total doses is suitable for the desirable in vivo performance of the contraceptive copolymer. 相似文献
98.
Bohmian trajectories for photons 总被引:2,自引:0,他引:2
The first examples of Bohmian trajectories for photons have been worked out for simple situations, using the Kemmer–Duffin–Harish-Chandra formalism. 相似文献
99.
Noncollinear difference frequency mixing of dye laser and Nd:YAG second harmonic (fundamental) radiation from a commercial
laser system is employed for the generation of 2.7–5.3 μm (1.6–1.7 μm) radiations in a flux-grown KTiOAsO1 crystal. The generated radiation is used to scan the methane absorption in the fundamental (v
3) and its first overtone (2v
3) band at pressure 90 torr in a laboratory made single pass gas cell of length 33 cm. 相似文献
100.
The reaction of CO with bilirubin which is not detectable in homogeneous aqueous medium proceeds almost with diffusion controlled rate in CTAB micellar system. This could be explained on the basis of catalysis caused by the possible electrostatic surface potential of cationic CTAB Micelles. The rate constant for the oxidation of bilirubin by haloperoxyl radicals have been shown to increase with increasing solvent polarity. Although the polarity effect was small, it followed a trend in the expected direction. Micellar effect was not observed in the oxidation reactions when alcohol was present in high concentration. But a small increase in the rate constant was observed when alcohol concentration was lower. © 1994 John Wiley & Sons, Inc. 相似文献